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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:39:36 UTC
Update Date2022-03-07 02:56:51 UTC
HMDB IDHMDB0041025
Secondary Accession Numbers
  • HMDB41025
Metabolite Identification
Common NameIsoacteoside
DescriptionIsoacteoside belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Based on a literature review very few articles have been published on Isoacteoside.
Structure
Data?1563863616
Synonyms
ValueSource
IsoverbascosideHMDB
{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acidGenerator
IsoacteosideMeSH
IsoacetosideMeSH
Chemical FormulaC29H36O15
Average Molecular Weight624.5871
Monoisotopic Molecular Weight624.205420482
IUPAC Name{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Traditional Name{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS Registry Number61303-13-7
SMILES
CC1OC(OC2C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC(OCCC3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+
InChI KeyFNMHEHXNBNCPCI-QPJJXVBHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
Sub ClassHydroxycinnamic acids and derivatives
Direct ParentCoumaric acids and derivatives
Alternative Parents
Substituents
  • Coumaric acid or derivatives
  • Cinnamic acid ester
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Tyrosol derivative
  • Catechol
  • Styrene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty acid ester
  • Phenol
  • Fatty acyl
  • Benzenoid
  • Monocyclic benzene moiety
  • Oxane
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Secondary alcohol
  • Carboxylic acid ester
  • Oxacycle
  • Polyol
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Acetal
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility2281 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.91 g/LALOGPS
logP1.05ALOGPS
logP0.82ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)9.01ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area245.29 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity148.4 m³·mol⁻¹ChemAxon
Polarizability61.45 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+241.93630932474
DeepCCS[M-H]-239.72730932474
DeepCCS[M-2H]-272.96630932474
DeepCCS[M+Na]+247.76730932474
AllCCS[M+H]+236.832859911
AllCCS[M+H-H2O]+235.932859911
AllCCS[M+NH4]+237.632859911
AllCCS[M+Na]+237.832859911
AllCCS[M-H]-224.732859911
AllCCS[M+Na-2H]-227.232859911
AllCCS[M+HCOO]-230.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
IsoacteosideCC1OC(OC2C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC(OCCC3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O7252.7Standard polar33892256
IsoacteosideCC1OC(OC2C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC(OCCC3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O5137.9Standard non polar33892256
IsoacteosideCC1OC(OC2C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC(OCCC3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O5565.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isoacteoside,1TMS,isomer #1CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5542.3Semi standard non polar33892256
Isoacteoside,1TMS,isomer #2CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O5556.9Semi standard non polar33892256
Isoacteoside,1TMS,isomer #3CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O5537.3Semi standard non polar33892256
Isoacteoside,1TMS,isomer #4CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O5511.8Semi standard non polar33892256
Isoacteoside,1TMS,isomer #5CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O5511.7Semi standard non polar33892256
Isoacteoside,1TMS,isomer #6CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5537.8Semi standard non polar33892256
Isoacteoside,1TMS,isomer #7CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5516.5Semi standard non polar33892256
Isoacteoside,1TMS,isomer #8CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5513.3Semi standard non polar33892256
Isoacteoside,1TMS,isomer #9CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5527.2Semi standard non polar33892256
Isoacteoside,2TMS,isomer #1CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5549.6Semi standard non polar33892256
Isoacteoside,2TMS,isomer #10CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O5378.8Semi standard non polar33892256
Isoacteoside,2TMS,isomer #11CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O5381.3Semi standard non polar33892256
Isoacteoside,2TMS,isomer #12CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5508.9Semi standard non polar33892256
Isoacteoside,2TMS,isomer #13CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5438.9Semi standard non polar33892256
Isoacteoside,2TMS,isomer #14CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5407.1Semi standard non polar33892256
Isoacteoside,2TMS,isomer #15CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5458.4Semi standard non polar33892256
Isoacteoside,2TMS,isomer #16CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O5365.2Semi standard non polar33892256
Isoacteoside,2TMS,isomer #17CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O5364.6Semi standard non polar33892256
Isoacteoside,2TMS,isomer #18CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5489.5Semi standard non polar33892256
Isoacteoside,2TMS,isomer #19CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5421.2Semi standard non polar33892256
Isoacteoside,2TMS,isomer #2CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5460.1Semi standard non polar33892256
Isoacteoside,2TMS,isomer #20CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5386.4Semi standard non polar33892256
Isoacteoside,2TMS,isomer #21CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5439.5Semi standard non polar33892256
Isoacteoside,2TMS,isomer #22CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O5438.4Semi standard non polar33892256
Isoacteoside,2TMS,isomer #23CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5464.7Semi standard non polar33892256
Isoacteoside,2TMS,isomer #24CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5393.4Semi standard non polar33892256
Isoacteoside,2TMS,isomer #25CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5365.6Semi standard non polar33892256
Isoacteoside,2TMS,isomer #26CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5416.7Semi standard non polar33892256
Isoacteoside,2TMS,isomer #27CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5462.1Semi standard non polar33892256
Isoacteoside,2TMS,isomer #28CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5394.2Semi standard non polar33892256
Isoacteoside,2TMS,isomer #29CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5365.8Semi standard non polar33892256
Isoacteoside,2TMS,isomer #3CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5463.0Semi standard non polar33892256
Isoacteoside,2TMS,isomer #30CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5414.9Semi standard non polar33892256
Isoacteoside,2TMS,isomer #31CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5499.5Semi standard non polar33892256
Isoacteoside,2TMS,isomer #32CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5483.3Semi standard non polar33892256
Isoacteoside,2TMS,isomer #33CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5514.6Semi standard non polar33892256
Isoacteoside,2TMS,isomer #34CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5452.9Semi standard non polar33892256
Isoacteoside,2TMS,isomer #35CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5458.1Semi standard non polar33892256
Isoacteoside,2TMS,isomer #36CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5462.0Semi standard non polar33892256
Isoacteoside,2TMS,isomer #4CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5487.5Semi standard non polar33892256
Isoacteoside,2TMS,isomer #5CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5507.3Semi standard non polar33892256
Isoacteoside,2TMS,isomer #6CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5496.6Semi standard non polar33892256
Isoacteoside,2TMS,isomer #7CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5480.6Semi standard non polar33892256
Isoacteoside,2TMS,isomer #8CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5513.1Semi standard non polar33892256
Isoacteoside,2TMS,isomer #9CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O5497.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #1CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5415.4Semi standard non polar33892256
Isoacteoside,3TMS,isomer #10CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5270.6Semi standard non polar33892256
Isoacteoside,3TMS,isomer #11CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5305.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #12CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5275.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #13CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5334.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #14CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5259.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #15CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5280.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #16CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5313.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #17CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5283.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #18CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5345.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #19CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5435.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #2CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5431.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #20CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5341.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #21CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5306.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #22CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5368.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #23CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5365.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #24CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5328.4Semi standard non polar33892256
Isoacteoside,3TMS,isomer #25CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5388.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #26CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5370.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #27CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5397.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #28CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5385.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #29CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O5276.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #3CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5384.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #30CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O5277.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #31CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5435.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #32CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5362.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #33CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5317.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #34CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5387.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #35CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O5269.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #36CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5278.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #37CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5211.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #38CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5182.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #39CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5236.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #4CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5389.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #40CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5287.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #41CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5217.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #42CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5191.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #43CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5243.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #44CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5362.4Semi standard non polar33892256
Isoacteoside,3TMS,isomer #45CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5331.2Semi standard non polar33892256
Isoacteoside,3TMS,isomer #46CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5390.6Semi standard non polar33892256
Isoacteoside,3TMS,isomer #47CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5306.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #48CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5323.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #49CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5300.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #5CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5439.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #50CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O5252.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #51CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5260.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #52CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5192.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #53CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5162.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #54CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5220.6Semi standard non polar33892256
Isoacteoside,3TMS,isomer #55CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5269.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #56CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5195.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #57CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5164.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #58CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5223.4Semi standard non polar33892256
Isoacteoside,3TMS,isomer #59CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5340.4Semi standard non polar33892256
Isoacteoside,3TMS,isomer #6CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5427.6Semi standard non polar33892256
Isoacteoside,3TMS,isomer #60CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5309.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #61CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5369.6Semi standard non polar33892256
Isoacteoside,3TMS,isomer #62CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5282.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #63CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5306.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #64CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5282.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #65CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5371.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #66CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O5302.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #67CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O5259.1Semi standard non polar33892256
Isoacteoside,3TMS,isomer #68CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C5332.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #69CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5312.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #7CC1OC(OC2C(O[Si](C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5463.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #70CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5286.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #71CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5346.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #72CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5258.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #73CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5280.9Semi standard non polar33892256
Isoacteoside,3TMS,isomer #74CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5254.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #75CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O5306.0Semi standard non polar33892256
Isoacteoside,3TMS,isomer #76CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O5280.3Semi standard non polar33892256
Isoacteoside,3TMS,isomer #77CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C5337.2Semi standard non polar33892256
Isoacteoside,3TMS,isomer #78CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5255.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #79CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5275.7Semi standard non polar33892256
Isoacteoside,3TMS,isomer #8CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5367.5Semi standard non polar33892256
Isoacteoside,3TMS,isomer #80CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5250.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #81CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5369.2Semi standard non polar33892256
Isoacteoside,3TMS,isomer #82CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5397.8Semi standard non polar33892256
Isoacteoside,3TMS,isomer #83CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5387.4Semi standard non polar33892256
Isoacteoside,3TMS,isomer #84CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5358.6Semi standard non polar33892256
Isoacteoside,3TMS,isomer #9CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C(O)C(O)C1O5251.1Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #1CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5794.5Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #2CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O5786.9Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #3CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O5768.0Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #4CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C(O)C(O)C1O5746.5Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #5CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O5746.8Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #6CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5789.8Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #7CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5758.2Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #8CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5750.3Semi standard non polar33892256
Isoacteoside,1TBDMS,isomer #9CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5781.7Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #1CC1OC(OC2C(O[Si](C)(C)C(C)(C)C)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5950.1Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #10CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O5815.9Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #11CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C(O)C(O)C1O5810.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #12CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5927.7Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #13CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5844.7Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #14CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5835.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #15CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5880.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #16CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O5810.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #17CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C(O)C(O)C1O5805.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #18CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5908.9Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #19CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5829.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #2CC1OC(OC2C(O)C(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5890.0Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #20CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5819.9Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #21CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5865.7Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #22CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C(O)C(O)C1O5870.7Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #23CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5885.2Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #24CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5805.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #25CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5797.3Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #26CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5841.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #27CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5885.3Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #28CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5809.3Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #29CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5801.7Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #3CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5888.8Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #30CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5845.3Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #31CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5882.8Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #32CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5872.5Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #33CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5914.8Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #34CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5831.1Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #35CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5844.1Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #36CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5840.0Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #4CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5911.8Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #5CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5930.3Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #6CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5887.8Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #7CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5875.1Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #8CC1OC(OC2C(O)C(OCCC3=CC=C(O)C(O)=C3)OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5918.3Semi standard non polar33892256
Isoacteoside,2TBDMS,isomer #9CC1OC(OC2C(O)C(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC(OCCC3=CC=C(O)C(O)=C3)C2O)C(O)C(O)C1O5921.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-08mi-5950613000-f42e6c5968d3550cb3c92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (1 TMS) - 70eV, Positivesplash10-0hc1-9801054000-52510f5f4376c7c6e50a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isoacteoside GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 10V, Positive-QTOFsplash10-06vi-0820905000-33ca739024ce141157be2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 20V, Positive-QTOFsplash10-08p1-0911300000-6a1b2377bd4aa68081cc2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 40V, Positive-QTOFsplash10-022j-0921100000-347ba9aab7ff6e960e722017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 10V, Negative-QTOFsplash10-01t9-0900302000-fd0d17d2f69a904653d02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 20V, Negative-QTOFsplash10-01t9-0910200000-2a9288a40e80fa29ef9f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 40V, Negative-QTOFsplash10-01t9-2911000000-e3be42d3d8978f42fd292017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 10V, Positive-QTOFsplash10-03dr-0901200000-0e3165c0b0269a1ff4592021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 20V, Positive-QTOFsplash10-03g0-0724900000-e096742085ea6981874f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 40V, Positive-QTOFsplash10-000i-2910000000-31c4239bf3b9f4b18c0f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 10V, Negative-QTOFsplash10-00di-0512519000-46d4da8826ce846958ba2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 20V, Negative-QTOFsplash10-001s-1971331000-c05f97a57e80554743f02021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isoacteoside 40V, Negative-QTOFsplash10-001r-1901000000-54f5dc9268937cc669fa2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB020894
KNApSAcK IDC00030516
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13889686
PDB IDNot Available
ChEBI ID546623
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1888791
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .