input word = C00029147

Metabolite InformationStructural formula
Name Triangularine B
Formula C29H31NO15
Mw 633.16936933
CAS RN 197006-83-0
C_ID C00029147 ,
InChIKey GNZQTFWPRCGKGK-XGFWTJGFNA-N
InChICode InChI=1S/C29H31NO15/c1-39-26-15-9(17-16-10(27(38)30-18(16)26)5-12-25(17)42-8-41-12)3-2-4-11(15)43-29-24(37)22(35)20(33)14(45-29)7-40-28-23(36)21(34)19(32)13(6-31)44-28/h2-5,13-14,19-24,28-29,31-37H,6-8H2,1H3,(H,30,38)/t13-,14-,19-,20-,21+,22+,23-,24-,28-,29-/m1/s1
SMILES c1cc(c2c(c1)c1c3c(c2OC)[nH]c(=O)c3cc2c1OCO2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia triangularis Ref.
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OrganismAristolochia triangularis
ReferenceLin,J.Chin.Pharm.Sci.,61,(1997),8