input word = C00040356

Metabolite InformationStructural formula
Name Spongianolide E
Formula C28H42O7
Mw 490.2930537
CAS RN 158846-19-6
C_ID C00040356 ,
InChIKey MUMOTAPURYGRPC-UHFFFAOYNA-N
InChICode InChI=1S/C28H42O7/c1-16(29)23(31)33-15-28-12-8-20-26(4)10-6-9-25(2,3)19(26)7-11-27(20,5)21(28)14-18(35-28)17-13-22(30)34-24(17)32/h13,16,18-21,24,29,32H,6-12,14-15H2,1-5H3/t16-,18-,19+,20-,21+,24-,26-,27-,28+/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@H](C)O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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