input word = C00056864

Metabolite InformationStructural formula
Name 2,16,19,20,25-Pentahydroxycucurbit-5-ene-3,11,22-trione
Formula C30H46O8
Mw 534.31926845
CAS RN 1135141-78-4
C_ID C00056864
InChIKey AGWNREQWNPJWPL-VOKXYEOFSA-N
InChICode InChI=1S/C30H46O8/c1-25(2,37)11-10-21(34)29(7,38)23-19(33)13-27(5)20-9-8-16-17(12-18(32)24(36)26(16,3)4)30(20,15-31)22(35)14-28(23,27)6/h8,17-20,23,31-33,37-38H,9-15H2,1-7H3/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
SMILES [H][C@](C1=CC2)(C[C@H](O)C(C1(C)C)=O)[C@]([C@]2([H])[C@@](C[C@@H](O)[C@]3([H])[C@@](C)(O)C(CCC(C)(O)C)=O)(C)[C@]3(C)C4)(CO)C4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis melo Ref.
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