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 CCCC(=O)O[C@@H]1/C(C)=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](OC(C)=O)[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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