input word = C00038996

Metabolite InformationStructural formula
Name Desoxycordifoline
Formula C28H30N2O11
Mw 570.18495982
CAS RN 21451-50-3
C_ID C00038996 ,
InChIKey APMZCJQXEGDAIT-UHFFFAOYNA-N
InChICode InChI=1S/C28H30N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,9,11-12,14,20,22-24,27-28,30-34H,1,8,10H2,2H3,(H,35,36)/t12-,14-,20-,22-,23+,24-,27+,28+/m1/s1
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeOchrosia moorei Ref.
PlantaeLonganiaceaeStrychnos mellodora Ref.
PlantaeRubiaceaeChimarrhis turbinata Ref.
PlantaeRubiaceaeNauclea diderrichii Ref.
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OrganismNauclea diderrichii
ReferenceKang, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 33, (2002), 762.