input word = C00043781

Metabolite InformationStructural formula
Name Norcaesalpinin MB
(-)-Norcaesalpinin MB
Formula C25H32O9
Mw 476.20463262
CAS RN 817168-20-0
C_ID C00043781 ,
InChIKey BSSJUSJUQOTDJX-UYIWUEBMNA-N
InChICode InChI=1S/C25H32O9/c1-12-16-8-9-25(31)23(5,6)21(33-14(3)28)20(32-13(2)27)22(34-15(4)29)24(25,7)18(16)10-19(30)17(12)11-26/h10-11,20-22,30-31H,8-9H2,1-7H3/t20-,21+,22-,24-,25+/m0/s1
SMILES c1c2c(c(c(c1O)C=O)C)CC[C@@]1([C@@]2([C@H]([C@H]([C@H](C1(C)C)OC(=O)C)OC(=O)C)OC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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