input word = C00030892

Metabolite InformationStructural formula
Name Ophiorine B methyl ester
Formula C27H31N2O9
Mw 527.2029556
CAS RN 110484-90-7
C_ID C00030892 ,
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=CC1C(OC2OC(CO)C(O)C(O)C2O)OC2C(C(=O)OC)C1Cc1c3[nH]c4ccccc4c3cc[n+]12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOphiorrhiza japonica Ref.
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