input word = C00041924

Metabolite InformationStructural formula
Name Topsentisterol A3
Formula C27H40O3
Mw 412.29774514
CAS RN 918119-80-9
C_ID C00041924 ,
InChIKey QRMRXDOWNSSATH-HBOCZZIRNA-N
InChICode InChI=1S/C27H40O3/c1-6-18(2)7-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h7-8,12,15-16,18-22,28H,6,9-11,13-14,17H2,1-5H3/b8-7+/t18-,19+,20+,21-,22-,24-,25-,26-,27?/m1/s1
SMILES C1=C2[C@]3([C@H]4[C@](C1)([C@H](CC4)[C@@H](C)/C=C/[C@@H](CC)C)C)C=C[C@@]1([C@@]2(CC[C@@H](C1)O)C)OO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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OrganismTopsentia sp.
ReferenceLuo,J.Nat.Prod.,69,(2006),1760