Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 22:52:28 UTC |
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Update Date | 2021-09-26 23:17:45 UTC |
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HMDB ID | HMDB0259909 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- |
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Description | WS79089B belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. WS79089B is an extremely weak basic (essentially neutral) compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | COC1=C2C(O)CC3=CC(CC(C)O)=C(C(O)=O)C(O)=C3C2=C(O)C2=C1C(=O)C1=C(O)C=CC=C1C2=O InChI=1S/C27H22O10/c1-9(28)6-10-7-11-8-14(30)18-19(15(11)23(32)16(10)27(35)36)25(34)20-21(26(18)37-2)24(33)17-12(22(20)31)4-3-5-13(17)29/h3-5,7,9,14,28-30,32,34H,6,8H2,1-2H3,(H,35,36) |
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Synonyms | Value | Source |
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Sodium 1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6,8,13-tetrahydrobenzo(a)naphthacene-2-carboxylate | MeSH |
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Chemical Formula | C27H22O10 |
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Average Molecular Weight | 506.463 |
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Monoisotopic Molecular Weight | 506.121296908 |
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IUPAC Name | 2,5,11,17-tetrahydroxy-7-(2-hydroxypropyl)-13-methoxy-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxylic acid |
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Traditional Name | 2,5,11,17-tetrahydroxy-7-(2-hydroxypropyl)-13-methoxy-15,22-dioxopentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C(O)CC3=CC(CC(C)O)=C(C(O)=O)C(O)=C3C2=C(O)C2=C1C(=O)C1=C(O)C=CC=C1C2=O |
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InChI Identifier | InChI=1S/C27H22O10/c1-9(28)6-10-7-11-8-14(30)18-19(15(11)23(32)16(10)27(35)36)25(34)20-21(26(18)37-2)24(33)17-12(22(20)31)4-3-5-13(17)29/h3-5,7,9,14,28-30,32,34H,6,8H2,1-2H3,(H,35,36) |
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InChI Key | XBWMJMIOZSMYBR-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthacenes |
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Sub Class | Tetracenequinones |
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Direct Parent | Tetracenequinones |
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Alternative Parents | |
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Substituents | - Tetracenequinone
- 9,10-anthraquinone
- 1,4-anthraquinone
- Anthracene
- Phenanthrene
- 2-naphthalenecarboxylic acid
- 2-naphthalenecarboxylic acid or derivatives
- 1-naphthol
- Salicylic acid or derivatives
- Hydroxybenzoic acid
- Aryl ketone
- Anisole
- Alkyl aryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Vinylogous acid
- Secondary alcohol
- Ketone
- Polyol
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organic oxygen compound
- Alcohol
- Organooxygen compound
- Organic oxide
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- | COC1=C2C(O)CC3=CC(CC(C)O)=C(C(O)=O)C(O)=C3C2=C(O)C2=C1C(=O)C1=C(O)C=CC=C1C2=O | 6070.8 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- | COC1=C2C(O)CC3=CC(CC(C)O)=C(C(O)=O)C(O)=C3C2=C(O)C2=C1C(=O)C1=C(O)C=CC=C1C2=O | 3136.9 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- | COC1=C2C(O)CC3=CC(CC(C)O)=C(C(O)=O)C(O)=C3C2=C(O)C2=C1C(=O)C1=C(O)C=CC=C1C2=O | 4641.0 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,3TMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4043.4 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,3TMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4328.9 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,3TMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 5288.1 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #1 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 3954.9 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #1 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4328.8 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #1 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 5016.1 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 3989.6 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 4327.9 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 4985.8 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #12 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4022.9 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #12 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4320.8 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,4TMS,isomer #12 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4931.9 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #1 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 3950.7 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #1 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 4311.3 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #1 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 4744.3 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #2 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 3992.7 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #2 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4312.6 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #2 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O[Si](C)(C)C)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O)=C12 | 4701.4 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #6 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 4009.7 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #6 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 4300.5 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,5TMS,isomer #6 | COC1=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(=O)C2=C(O[Si](C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C12 | 4686.6 | Standard polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,3TBDMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=C12 | 4651.7 | Semi standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,3TBDMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=C12 | 4842.9 | Standard non polar | 33892256 | Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy-,3TBDMS,isomer #11 | COC1=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C(O[Si](C)(C)C(C)(C)C)C2=C1C(O)CC1=CC(CC(C)O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=C12 | 5360.4 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_1_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_11) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_12) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_13) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_14) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_2_15) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-8,13-dioxo-3-(2-hydroxypropyl)-7-methoxy-1,6,9,14-tetrahydroxy- GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum |
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