input word = C00038597

Metabolite InformationStructural formula
Name Bipinnatin M
(+)-Bipinnatin M
Formula C25H30O12
Mw 522.17372642
CAS RN 1020661-85-1
C_ID C00038597 ,
InChIKey XXCSCQVYTNDURK-VYZIPOFDNA-N
InChICode InChI=1S/C25H30O12/c1-11-9-24(30)22-23(5,36-22)10-15-7-17(21(29)35-15)18(33-13(3)26)8-16(12(2)20(28)32-6)19(34-14(4)27)25(11,31)37-24/h7,9,15-16,18-19,22,30-31H,2,8,10H2,1,3-6H3/t15-,16+,18-,19+,22-,23-,24-,25+/m1/s1
SMILES [C@H]12[C@@]3(O[C@]([C@H]([C@@H](C[C@H](C4=C[C@H](C[C@]1(O2)C)OC4=O)OC(=O)C)C(=C)C(=O)OC)OC(=O)C)(C(=C3)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudopterogorgia kallos Ref.
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OrganismPseudopterogorgia kallos
ReferenceMarrero,J.Nat.Prod.,71,(2008),381