input word = C00003683

Metabolite InformationStructural formula
Name Cucurbitacin B
Formula C32H46O8
Mw 558.31926845
CAS RN 6199-67-3
C_ID C00003683 ,
InChIKey IXQKXEUSCPEQRD-UQGYWOQJNA-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/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/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)/C=C/C(C)(C)OC(=O)C)(O)C)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChrysomelidaeDiabrotica undecimpunctata howardi Ref.
FungiTricholomataceaeLeucopaxillus gentianeus Ref.
PlantaeBegoniaceaeBegonia nantoensis Ref.
PlantaeChrysobalanaceaeLicania intrapetiolaris Ref.
PlantaeCruciferaeIberis spp. Ref.
PlantaeCucurbitaceaeBryonia alba Ref.
PlantaeCucurbitaceaeBryonia dioica Ref.
PlantaeCucurbitaceaeCitrullus colocynthis Ref.
PlantaeCucurbitaceaeCucumis africanus Ref.
PlantaeCucurbitaceaeCucumis melo Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
PlantaeMyrsinaceaeAnagallis arvensis Ref.
PlantaeSamydaceaeCasearia arborea Ref.
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