input word = C00001613

Metabolite InformationStructural formula
Name Anhwiedelphinine
Formula C35H44N2O10
Mw 652.29959564
CAS RN 102503-60-6
C_ID C00001613 ,
InChIKey ZXTOPWJFZABXSX-YJUSAQIPNA-N
InChICode InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17-,19+,20+,22-,23-,25+,26-,27+,28-,31-,32-,33+,34-,35+/m0/s1
SMILES c1(ccccc1C(=O)OC[C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]([C@]([C@H]3OC)(O)[C@H]4N=C2)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)N1C(=O)C[C@@H](C1=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium anhwiense Ref.
zoom in