input word = C00029441

Metabolite InformationStructural formula
Name 20-Epibryonolic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 1038596-76-7
C_ID C00029441 ,
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 C1[C@@H](C([C@H]2[C@](C1)(C1=C(CC2)[C@@]2([C@@](CC1)([C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)O)C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLagenaria siceraria (MOL.) STANDL Ref.
PlantaeEuphorbiaceaeMacaranga conifera Ref.
PlantaeUlmaceaeCeltis philippinensis Ref.
--Cogniauxia podolaena Ref.
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