input word = C00042306

Metabolite InformationStructural formula
Name Briaranolide D
(+)-Briaranolide D
Formula C30H40O12
Mw 592.25197674
CAS RN 866087-88-9
C_ID C00042306 ,
InChIKey QCKBRNGBTDVVAQ-XTVSUXHONA-N
InChICode InChI=1S/C30H40O12/c1-9-10-21(34)41-24-15(3)13-20-30(29(8,42-30)27(36)40-20)25(38-17(5)32)22-14(2)11-12-19(37-16(4)31)28(22,7)26(23(24)35)39-18(6)33/h11,13,19-20,22-26,35H,9-10,12H2,1-8H3/b15-13-/t19-,20-,22+,23-,24+,25-,26-,28-,29-,30-/m0/s1
SMILES C1=C([C@H]2[C@]([C@H](C1)OC(=O)C)([C@H]([C@H]([C@@H](/C(=C\[C@H]1[C@]3([C@H]2OC(=O)C)[C@](C(=O)O1)(O3)C)/C)OC(=O)CCC)O)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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OrganismBriareum sp.
ReferenceHoshino,J.Nat.Prod.,68,(2005),1328