input word = C00043406

Metabolite InformationStructural formula
Name Cordifoline
Formula C28H30N2O12
Mw 586.17987444
CAS RN 25455-00-9
C_ID C00043406 ,
InChIKey HFPKTEZZZRPDQU-VZSBBVAFNA-N
InChICode InChI=1S/C28H30N2O12/c1-3-12-13(7-18-21-15(8-19(29-18)25(36)37)14-6-11(32)4-5-17(14)30-21)16(26(38)39-2)10-40-27(12)42-28-24(35)23(34)22(33)20(9-31)41-28/h3-6,8,10,12-13,20,22-24,27-28,30-35H,1,7,9H2,2H3,(H,36,37)/t12-,13-,20+,22-,23-,24+,27+,28-/m0/s1
SMILES c12c(cc(nc1C[C@H]1[C@@H]([C@H](OC=C1C(=O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C=C)C(=O)O)c1c([nH]2)ccc(c1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina cordifolia Roxb. Ref.
PlantaeRubiaceaeChimarrhis turbinata Ref.
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