HMDB0030646 RDKit 3D (Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one 27 28 0 0 0 0 0 0 0 0999 V2000 4.1197 0.5111 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8118 0.5219 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 -0.7998 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -1.4742 0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.1000 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.1687 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4504 0.3955 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9348 1.6690 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2766 1.8268 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 0.7698 -0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 -0.5048 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 -0.6711 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.9238 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 -2.8889 -0.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 -2.0892 0.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0895 1.3552 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -0.4739 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9605 0.5002 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8847 1.3913 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9945 0.5480 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 -1.2406 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -2.4832 1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5041 1.0594 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2795 2.5226 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 2.8345 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1597 0.9334 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2845 -1.3581 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 5 1 0 12 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 M END