input word = C00031748

Metabolite InformationStructural formula
Name Dihydrocucurbitacin B
Formula C32H48O8
Mw 560.33491851
CAS RN 13201-14-4
C_ID C00031748 ,
InChIKey QZJJDOYZVRUEDY-BMNGFKLUNA-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/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
SMILES [C@H]1(C(=O)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)CCC(C)(C)OC(=O)C)(C)O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia nantoensis Ref.
PlantaeCucurbitaceaeBryonia alba Ref.
PlantaeCucurbitaceaeBryonia dioica Ref.
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OrganismBryonia alba
ReferencePohlmann,Phytochem.,14,(1975),1587

Panosyen,Bioorg.Khim.,5,(1979),721