input word = C00030891

Metabolite InformationStructural formula
Name Ophiorine B
Formula C26H28N2O9
Mw 512.17948051
CAS RN 99631-26-2
C_ID C00030891 ,
InChIKey MYJKHRHLAAMOED-UHFFFAOYNA-N
InChICode InChI=1S/C26H28N2O9/c1-2-11-14-9-16-19-13(12-5-3-4-6-15(12)27-19)7-8-28(16)23(18(14)24(33)34)36-25(11)37-26-22(32)21(31)20(30)17(10-29)35-26/h2-8,11,14,17-18,20-23,25-26,29-32H,1,9-10H2,(H,33,34)/t11-,14-,17-,18-,20-,21+,22-,23+,25+,26+/m0/s1
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC2C(C(=O)[O-])C1Cc1c3[nH]c4ccccc4c3cc[n+]12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeOphiorrhiza japonica Ref.
PlantaeRubiaceaeOphiorrhiza kuroiwai Ref.
PlantaeRubiaceaeOphiorrhiza liukiuensis Ref.
--Sickingia tinctoria Ref.
--Sickingia williamsii Ref.
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OrganismSickingia tinctoria
ReferenceAimi, et al., Tetrahedron Lett, 26, (1985), 5299.

Aquino, et al., Phytochemistry, 37, (1994), 1471.

Aquino, et al., Phytother Res, 10, (1996), 161.

KITAJIMA, et al., Chem Pharm Bull, 53, (2005), 1355