input word = C00045580

Metabolite InformationStructural formula
Name 6beta-Hydroxyhovenic acid
Formula C30H48O6
Mw 504.34508927
CAS RN 331732-52-6
C_ID C00045580 ,
InChIKey ACWOFCGWVYPIOV-HNBGOHGTNA-N
InChICode InChI=1S/C30H48O6/c1-16(2)17-9-10-30(25(35)36)12-11-28(5)18(22(17)30)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h17-24,31-34H,1,7-15H2,2-6H3,(H,35,36)/t17-,18+,19+,20+,21+,22-,23+,24-,26+,27-,28+,29+,30-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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OrganismCombretum quadrangulare
ReferenceAdnyana,J.Nat.Prod.,64,(2001)360