input word = C00042788

Metabolite InformationStructural formula
Name Norcaesalpinin A
(-)-Norcaesalpinin A
Formula C23H30O7
Mw 418.19915331
CAS RN 617713-32-3
C_ID C00042788 ,
InChIKey SOBRISMVUYEESV-YUTAGPCDNA-N
InChICode InChI=1S/C23H30O7/c1-12(24)29-18-11-21(3,4)23(27)8-6-14-16(22(23,5)20(18)30-13(2)25)10-17-15(19(14)26)7-9-28-17/h7,9,14,16,18,20,27H,6,8,10-11H2,1-5H3/t14-,16+,18+,20+,22+,23-/m1/s1
SMILES [C@H]1([C@]2([C@](C(C[C@@H]1OC(=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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