input word = C00041931

Metabolite InformationStructural formula
Name Topsentisterol C2
Formula C29H48O4
Mw 460.35526002
CAS RN 918119-94-5
C_ID C00041931 ,
InChIKey WEHHOTPFPNWESE-VXHUEWBZNA-N
InChICode InChI=1S/C29H48O4/c1-17(21-14-19(21)3)6-7-18(2)22-8-9-23-24-15-25(31)29(33)16-20(30)10-11-27(29,5)28(24,32)13-12-26(22,23)4/h15,17-23,25,30-33H,6-14,16H2,1-5H3/t17-,18-,19-,20+,21+,22-,23+,25+,26-,27-,28-,29+/m1/s1
SMILES C1[C@]2(C(=C[C@@H]([C@@]3([C@@]2(CC[C@@H](C3)O)C)O)O)[C@H]2[C@](C1)([C@H](CC2)[C@H](C)CC[C@H]([C@@H]1C[C@H]1C)C)C)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