input word = C00041922

Metabolite InformationStructural formula
Name Topsentisterol A1
(-)-Topsentisterol A1
Formula C29H46O3
Mw 442.34469533
CAS RN 918119-76-3
C_ID C00041922 ,
InChIKey NGJBTKPYHONYDO-WTDLHMOMNA-N
InChICode InChI=1S/C29H46O3/c1-18(22-16-20(22)3)6-7-19(2)23-8-9-24-26(23,4)12-11-25-27(5)13-10-21(30)17-28(27)14-15-29(24,25)32-31-28/h14-15,18-25,30H,6-13,16-17H2,1-5H3/t18-,19-,20-,21+,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1
SMILES C1[C@H]2[C@@]3([C@H]4[C@](C1)([C@H](CC4)[C@H](C)CC[C@H]([C@@H]1C[C@H]1C)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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