input word = C00030890

Metabolite InformationStructural formula
Name Ophiorine A methyl ester
Formula C27H31N2O9
Mw 527.2029556
CAS RN 110484-91-8
C_ID C00030890 ,
InChIKey BEERDANFCCLGJQ-UHFFFAOYNA-O
InChICode InChI=1S/C27H30N2O9/c1-3-12-15-10-17-20-14(13-6-4-5-7-16(13)28-20)8-9-29(17)24(19(15)25(34)35-2)37-26(12)38-27-23(33)22(32)21(31)18(11-30)36-27/h3-9,12,15,18-19,21-24,26-27,30-33H,1,10-11H2,2H3/p+1/t12-,15+,18+,19+,21+,22-,23+,24-,26+,27+/m1/s1
SMILES [C@@H]1(C(=O)OC)[C@@H]2[n+]3ccc4c(c3C[C@H]1[C@H]([C@@H](O2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)C=C)[nH]c1c4cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOphiorrhiza japonica Ref.
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OrganismOphiorrhiza japonica
ReferenceKitajima,J.Nat.Med.,61,(2007),14