input word = C00041942

Metabolite InformationStructural formula
Name Topsentolide B3
(+)-Topsentolide B3
Formula C20H32O4
Mw 336.23005951
CAS RN 886193-08-4
C_ID C00041942 ,
InChIKey MDCUPALPRUQMSF-NTJWYDLKNA-N
InChICode InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18(21)19(22)16-15-17-12-9-7-8-11-14-20(23)24-17/h6-7,9-10,15-19,21-22H,2-5,8,11-14H2,1H3/b9-7-,10-6-,16-15+/t17-,18-,19+/m0/s1
SMILES O1[C@@H](C/C=C\CCCC1=O)/C=C/[C@H]([C@H](C/C=C\CCCCC)O)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),567