input word = C00003691

Metabolite InformationStructural formula
Name Cucurbitacin O
Formula C30H46O7
Mw 518.32435382
CAS RN 25383-23-7
C_ID C00003691 ,
InChIKey AOHIGMQGPFTKQX-ZHDQPRFONA-N
InChICode InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/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)O)(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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