input word = C00042789

Metabolite InformationStructural formula
Name Norcaesalpinin B
(+)-Norcaesalpinin B
Formula C23H30O7
Mw 418.19915331
CAS RN 617713-33-4
C_ID C00042789 ,
InChIKey MPFACQITBMQUJJ-UDUXNHEDNA-N
InChICode InChI=1S/C23H30O7/c1-12(24)29-18-11-19(30-13(2)25)22(5)16-10-17-15(7-9-28-17)20(26)14(16)6-8-23(22,27)21(18,3)4/h7,9,14,16,18-19,27H,6,8,10-11H2,1-5H3/t14-,16+,18-,19+,22+,23-/m1/s1
SMILES [C@H]1([C@]2([C@](C([C@@H](C1)OC(=O)C)(C)C)(CC[C@@H]1[C@@H]2Cc2c(C1=O)cco2)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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OrganismCaesalpinia crista
ReferenceLinn,J.Nat.Prod.,68,(2005),706