input word = C00048515

Metabolite InformationStructural formula
Name Pulcherrimin C
Formula C34H36O8
Mw 572.24101813
CAS RN 186890-48-2
C_ID C00048515 ,
InChIKey NBIZLELOKAWPIH-HFGZQEDANA-N
InChICode InChI=1S/C34H36O8/c1-20-23-15-18-40-25(23)19-24-26(20)27(41-29(35)21-11-6-4-7-12-21)28(42-30(36)22-13-8-5-9-14-22)34(39)32(24,2)16-10-17-33(34,3)31(37)38/h4-9,11-15,18,20,24,26-28,39H,10,16-17,19H2,1-3H3,(H,37,38)/t20-,24-,26-,27+,28+,32+,33+,34-/m0/s1
SMILES c12c([C@@H]([C@H]3[C@H](C1)[C@@]1([C@@]([C@@H]([C@@H]3OC(=O)c3ccccc3)OC(=O)c3ccccc3)([C@](CCC1)(C(=O)O)C)O)C)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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