input word = C00040352

Metabolite InformationStructural formula
Name Spongianolide A
Formula C27H40O6
Mw 460.28248901
CAS RN 158846-17-4
C_ID C00040352 ,
InChIKey BPTQNEYHUCKNPL-IFQPFHQHNA-N
InChICode InChI=1S/C27H40O6/c1-17(28)32-16-27(31)14-10-20-25(4)12-6-11-24(2,3)19(25)9-13-26(20,5)21(27)8-7-18-15-22(29)33-23(18)30/h7-8,15,19-21,23,30-31H,6,9-14,16H2,1-5H3/b8-7+/t19-,20-,21-,23+,25-,26-,27+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@H]1[C@](CC2)([C@@H]([C@@](CC1)(COC(=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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