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 C1(=C[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(C[C@H]([C@@H]2[C@@](C(=O)CCC(C)(C)OC(=O)C)(C)O)O)C)C)C)C(C1=O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia nantoensis Ref.
PlantaeCucurbitaceaeBryonia alba Ref.
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