input word = C00055280

Metabolite InformationStructural formula
Name Bryononic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 24480-44-2
C_ID C00055280
InChIKey XKLPFWHBIRYSNP-VZJYYLGYSA-N
InChICode InChI=1S/C30H46O3/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/h21-22H,8-18H2,1-7H3,(H,32,33)/t21-,22+,26+,27+,28+,29+,30-/m0/s1
SMILES CC1(C)C(=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
PlantaeMeliaceaeSandoricum indicum Ref.
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OrganismSandoricum indicum
ReferenceSim, K.Y. et al., Phytochemistry, 1972, 11, 3341