input word = C00026741

Metabolite InformationStructural formula
Name Ipobscurine B
(-)-Ipobscurine B
Formula C29H30N2O7
Mw 518.20530133
CAS RN 571144-95-1
C_ID C00026741 ,
InChIKey LMWMSKRQOYZVFO-IIMSZLKRNA-N
InChICode InChI=1S/C29H30N2O7/c1-37-26-14-19(5-10-25(26)34)29(36)27(17-32)38-22-8-9-24-23(15-22)20(16-31-24)12-13-30-28(35)11-4-18-2-6-21(33)7-3-18/h2-11,14-16,27,29,31-34,36H,12-13,17H2,1H3,(H,30,35)/b11-4+/t27-,29+/m0/s1
SMILES COc1cc([C@@H](O)[C@H](CO)Oc2ccc3[nH]cc(CCNC(=O)/C=C/c4ccc(O)cc4)c3c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea obscura Ref.
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