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 CO[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@]1(O)C2N=C[C@@]4(COC(=O)c5ccccc5N5C(=O)C[C@H](C)C5=O)CC[C@H](OC)[C@@]23[C@@H]4[C@@H]1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium anhwiense Ref.
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