input word = C00003693

Metabolite InformationStructural formula
Name Cucurbitacin Q
Formula C32H48O8
Mw 560.33491851
CAS RN 25383-25-9
C_ID C00003693 ,
InChIKey LMJMTWXDWFWZHV-WYRJXNHFNA-N
InChICode InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
SMILES [C@@H]1([C@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@](C(=O)/C=C/C(C)(C)OC(=O)C)(O)C)O)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBrandegea bigelovii Ref.
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OrganismBrandegea bigelovii
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter57