input word = C00029183

Metabolite InformationStructural formula
Name Verabenzoamine
Formula C41H59NO12
Mw 757.40372636
CAS RN 142735-72-6
C_ID C00029183 ,
InChIKey SEDYNUHTSUXLHA-VPOQPOIKNA-N
InChICode InChI=1S/C41H59NO12/c1-8-21(3)35(45)53-34-32(44)31-23(19-42-18-20(2)9-12-29(42)38(31,5)47)24-17-39-33(40(24,34)48)25(43)16-28-37(39,4)14-13-30(41(28,49)54-39)52-36(46)22-10-11-26(50-6)27(15-22)51-7/h10-11,15,20-21,23-25,28-34,43-44,47-49H,8-9,12-14,16-19H2,1-7H3/t20-,21-,23-,24-,25+,28-,29-,30-,31+,32+,33+,34-,37-,38+,39+,40-,41-/m0/s1
SMILES [C@@H]1(CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@@]2(O)C)[C@H]([C@@H]([C@@]2([C@H]1C[C@@]13[C@H]2[C@@H](C[C@H]2[C@@]1(CC[C@@H]([C@@]2(O)O3)OC(=O)c1ccc(c(c1)OC)OC)C)O)O)OC(=O)[C@@H](C)CC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum nigrum var.ussuriense Ref.
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