input word = C00041935

Metabolite InformationStructural formula
Name Topsentisterol D2
Formula C27H40O2
Mw 396.30283052
CAS RN 918120-02-2
C_ID C00041935 ,
InChIKey LTDDELFZQAJPOQ-UCAHXQDVNA-N
InChICode InChI=1S/C27H40O2/c1-6-17(2)7-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7-8,16-18,20-22,28H,6,9-15H2,1-5H3/b8-7+/t17-,18-,20-,21+,22-,26-,27+/m0/s1
SMILES C1C2=C([C@H]3[C@](C1)([C@H](CC3)[C@@H](C)/C=C/[C@H](CC)C)C)C(=O)C=C1[C@@]2(CC[C@@H](C1)O)C
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