input word = C00048517

Metabolite InformationStructural formula
Name Pulcherrin A
(+)-Pulcherrin A
Formula C29H36O5
Mw 464.25627426
CAS RN 1132772-53-2
C_ID C00048517 ,
InChIKey DRFVXJFSFNEPCF-SZODEFGHNA-N
InChICode InChI=1S/C29H36O5/c1-18-20-13-16-33-22(20)17-21-24(18)25(34-23(30)12-11-19-9-6-5-7-10-19)26(31)29(32)27(2,3)14-8-15-28(21,29)4/h5-7,9-13,16,18,21,24-26,31-32H,8,14-15,17H2,1-4H3/b12-11+/t18-,21-,24-,25+,26+,28+,29+/m0/s1
SMILES c12c([C@@H]([C@H]3[C@H](C1)[C@@]1([C@@]([C@@H]([C@@H]3OC(=O)/C=C/c3ccccc3)O)(C(CCC1)(C)C)O)C)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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