input word = C00041604

Metabolite InformationStructural formula
Name Isoclathroside A
(-)-Isoclathroside A
Formula C38H74O7
Mw 642.54345472
CAS RN 876314-04-4
C_ID C00041604 ,
InChIKey RYXAMRKDUZLGND-PIUOXMTPNA-N
InChICode InChI=1S/C38H74O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(31-44-38-37(43)36(42)35(41)34(30-39)45-38)29-33(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,33-43H,3-28,30-31H2,1-2H3/b32-29-/t33-,34-,35+,36+,37-,38-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC/C(=C\[C@H](O)CCCCCCCCCCCCCC)/CCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas clathrodes Ref.
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OrganismAgelas clathrodes
ReferenceCostanino,J.Nat.Prod.,69,(2006),73