input word = C00000178

Metabolite InformationStructural formula
Name 28-Homodolicholide
Formula C29H48O6
Mw 492.34508927
CAS RN 86630-40-2
C_ID C00000178 ,
InChIKey LRRBQWHWKJDDAW-DOIRGTSPNA-N
InChICode InChI=1S/C29H48O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-26,30-33H,8-14H2,1-6H3/b17-7+/t16-,18+,19+,20+,21-,22+,23-,24+,25+,26+,28+,29+/m0/s1
SMILES [C@@H]1([C@H](C[C@H]2[C@](C1)([C@@H]1[C@H](COC2=O)[C@@H]2[C@](CC1)([C@H](CC2)[C@@H]([C@H]([C@H](O)/C(=C/C)/C(C)C)O)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDolichos lablab Ref.
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