input word = C00000256

Metabolite InformationStructural formula
Name Soyasapogenol B
Formula C30H50O3
Mw 458.37599546
CAS RN 595-15-3
C_ID C00000256 ,
InChIKey YOQAQNKGFOLRGT-AYOMXMMXNA-N
InChICode InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
SMILES CC1(C)CC2C3=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAbrus pulchellus Ref.
PlantaeFabaceaeArachis hypogaea Ref.
PlantaeFabaceaeAstragalus angustifolius Ref.
PlantaeFabaceaeAstragalus glycyphyllos Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeGueldenstaedtia multiflora Ref.
PlantaeFabaceaeLespedeza juncea Ref.
PlantaeFabaceaeLespedeza sericea Ref.
PlantaeFabaceaeLupinus verbasciformis Ref.
PlantaeFabaceaeMedicago arabica Ref.
PlantaeFabaceaeMedicago arborea Ref.
PlantaeFabaceaeMedicago hybrida Ref.
PlantaeFabaceaeMedicago lupulina Ref.
PlantaeFabaceaeMedicago monspeliaca Ref.
PlantaeFabaceaeMedicago polymorpha Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeMelilotus officinalis Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaePueraria montana var. lobata Ref.
PlantaeFabaceaeSophora japonica Ref.
PlantaeFabaceaeTrifolium pratense Ref.
PlantaeFabaceaeTrifolium resupinatum Ref.
PlantaeFabaceaeTrifolium spp. Ref.
PlantaeFabaceaeUlex parviflorus Ref.
PlantaeFabaceaeWisteria brachybotrys Ref.
PlantaeOrobanchaceaeAgalinis purpurea Ref.
--Astragalus Ref.
--Medicago Ref.
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OrganismTrifolium spp.
ReferenceWillner,D.et al.,JCS,(1964),5885-5888