input word = C00040353

Metabolite InformationStructural formula
Name Spongianolide B
Formula C29H44O7
Mw 504.30870376
CAS RN 158846-18-5
C_ID C00040353 ,
InChIKey VEEYNOVEZPHQEL-BQYQJAHWNA-N
InChICode InChI=1S/C29H44O7/c1-18(30)15-23(31)35-17-29(34)14-10-21-27(4)12-6-11-26(2,3)20(27)9-13-28(21,5)22(29)8-7-19-16-24(32)36-25(19)33/h7-8,16,18,20-22,25,30,33-34H,6,9-15,17H2,1-5H3/b8-7+/t18-,20+,21-,22-,25-,27+,28+,29+/m0/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@@H]([C@@](CC1)(COC(=O)C[C@@H](O)C)O)/C=C/C1=CC(=O)O[C@@H]1O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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