input word = C00054283

Metabolite InformationStructural formula
Name Cucurbita-5,23,25-triene-3,7-dione
Formula C30H44O2
Mw 436.33413065
CAS RN 911054-47-2
C_ID C00054283
InChIKey ZBEWFOWJILEMCK-BUVJRFOYSA-N
InChICode InChI=1S/C30H44O2/c1-20(2)11-9-10-14-27(5)15-17-29(7)25-23(31)19-22-21(12-13-24(32)26(22,3)4)28(25,6)16-18-30(27,29)8/h9,11,19,21,25H,1,10,12-18H2,2-8H3/b11-9+/t21-,25-,27+,28+,29+,30-/m1/s1
SMILES C=C(C)/C=C/CC[C@@]1(C)CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica charantia Ref.
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OrganismMomordica charantia
ReferenceChang, C.-I et al., J. Nat. Prod., 2006, 69, 1168-1171 (3beta,7beta-form, diketone)