input word = C00001765

Metabolite InformationStructural formula
Name Roxburghine B
Formula C31H32N4O2
Mw 492.25252629
CAS RN 27932-46-3
C_ID C00001765 ,
InChIKey SSVINUXCSDCQPY-IAHYDSCGNA-N
InChICode InChI=1S/C31H32N4O2/c1-31-14-27-22(19-8-4-5-9-25(19)32-27)15-35(31)16-23(30(36)37-2)21-13-28-29-20(11-12-34(28)17-24(21)31)18-7-3-6-10-26(18)33-29/h3-10,16,21,24,28,32-33H,11-15,17H2,1-2H3/t21-,24-,28-,31+/m1/s1
SMILES c12c3c([nH]c1[C@@H]1N(CC2)C[C@@H]2[C@H](C1)C(=CN1[C@]2(Cc2c(C1)c1c([nH]2)cccc1)C)C(=O)OC)cccc3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria gambir Ref.
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