input word = C00043235

Metabolite InformationStructural formula
Name Acanthovagasteroid B
(-)-Acanthovagasteroid B
Formula C27H44O2
Mw 400.33413065
CAS RN 815586-47-1
C_ID C00043235 ,
InChIKey VYTVWDKLFRPKCF-CXTSPEQHNA-N
InChICode InChI=1S/C27H44O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h6,8,19,21-25,28-29H,5,7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1
SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAcanthogorgiidaeAcanthogorgia vagae Ref.
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OrganismAcanthogorgia vagae
ReferenceZhang,J.Nat.Prod.,67,(2004),2083