input word = C00040354

Metabolite InformationStructural formula
Name Spongianolide C
Formula C27H40O6
Mw 460.28248901
CAS RN 158931-47-6
C_ID C00040354 ,
InChIKey VSNRQJCSNGQROZ-UHFFFAOYNA-N
InChICode InChI=1S/C27H40O6/c1-16(28)31-15-27-12-8-20-25(4)10-6-9-24(2,3)19(25)7-11-26(20,5)21(27)14-18(33-27)17-13-22(29)32-23(17)30/h13,18-21,23,30H,6-12,14-15H2,1-5H3/t18-,19-,20-,21+,23+,25+,26-,27+/m0/s1
SMILES C1CC([C@H]2[C@@](C1)([C@H]1[C@](CC2)([C@@H]2[C@](CC1)(O[C@@H](C2)C1=CC(=O)O[C@H]1O)COC(=O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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