input word = C00031749

Metabolite InformationStructural formula
Name Dihydrocucurbitacin E
Formula C32H46O8
Mw 558.31926845
CAS RN 28973-67-3
C_ID C00031749 ,
InChIKey XZBVNQWNPRMHRH-DJTCTYOUNA-N
InChICode InChI=1S/C32H46O8/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/h10,14,19,21-22,25,34-35,39H,11-13,15-16H2,1-9H3/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1
SMILES CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia nantoensis Ref.
PlantaeCucurbitaceaeBryonia alba Ref.
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