input word = C00058522

Metabolite InformationStructural formula
Name isodecipinone I
Formula C35H42O12
Mw 654.26762681
CAS RN 204199-84-8
C_ID C00058522
InChIKey BHZOROPUSYDJHJ-RWMFGVPGSA-N
InChICode InChI=1S/C35H42O12/c1-18(2)25-13-14-27(44-20(4)37)34(17-36)28(25)31(46-22(6)39)32(42)35(47-23(7)40)15-19(3)30(45-21(5)38)29(35)33(34)43-16-26(41)24-11-9-8-10-12-24/h8-14,19,25,27-31,33,36H,1,15-17H2,2-7H3/t19-,25+,27+,28-,29+,30-,31+,33+,34+,35+/m0/s1
SMILES C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@]2(CO)[C@@H]1[C@@H](OC(C)=O)C(=O)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]1[C@H]2OCC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia decipiens Ref.
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