input word = C00045577

Metabolite InformationStructural formula
Name 5-O-(2'E,4'E-Decadienoyl)ingenol
Formula C30H42O6
Mw 498.29813907
CAS RN 1147880-75-8
C_ID C00045577 ,
InChIKey BMSQOSCSLGJQPZ-XVXDWMSANA-N
InChICode InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-20(17-31)15-21-24-22(28(24,4)5)14-19(3)29(26(21)34)16-18(2)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10-,13-12+/t19-,21+,22-,24+,25+,27-,29+,30-/m1/s1
SMILES C1(=C[C@]23[C@@]([C@H]1O)([C@@H](C(=C[C@@H]([C@H]1[C@@H](C[C@H]2C)C1(C)C)C3=O)CO)OC(=O)/C=C/C=C/CCCCC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia kansui Ref.
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