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 CC(=O)OC[C@]1(O)CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1/C=C/C1=CC(=O)OC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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