input word = C00041929

Metabolite InformationStructural formula
Name Topsentisterol B5
Formula C28H44O3
Mw 428.32904527
CAS RN 918119-90-1
C_ID C00041929 ,
InChIKey MEIJIKXWOMTKCH-ZQQFCYDRNA-N
InChICode InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19+,20-,22+,24+,25+,26-,27-,28+/m1/s1
SMILES C1[C@H]2C(=C3[C@](C1)([C@H](CC3)[C@@H](C)/C=C/[C@H](C(C)C)C)C)[C@@H]([C@H]1[C@@]3([C@@]2(CC[C@@H](C3)O)C)O1)O
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