input word = C00029859

Metabolite InformationStructural formula
Name Bryonolic acid
Formula C30H48O3
Mw 456.3603454
CAS RN 24480-45-3
C_ID C00029859 ,
InChIKey BHVJSLPLFOAMEV-GBBCRVMINA-N
InChICode InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia dioica Ref.
PlantaeCucurbitaceaeLagenaria siceraria (MOL.) STANDL Ref.
PlantaeMeliaceaeSandoricum indicum Ref.
PlantaeOleaceaeOlea europaea Ref.
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OrganismBryonia dioica
ReferenceHylands,Phytochem.,15,(1976),559

Ripperger,Tetrahedron,32,(1976),1567