input word = C00028342

Metabolite InformationStructural formula
Name Herveline B
Formula C39H44N2O7
Mw 652.31485177
CAS RN 160098-80-6
C_ID C00028342 ,
InChIKey NEXRVQBAVZJJFM-OOEZRPEANA-N
InChICode InChI=1S/C39H44N2O7/c1-40-13-12-23-16-35(45-5)36(20-27(23)30(40)14-22-8-10-25(43-3)11-9-22)48-38-29-18-32-26-19-33(42)34(44-4)17-24(26)15-31(41(32)2)28(29)21-37(46-6)39(38)47-7/h8-11,16-17,19-21,30-32,42H,12-15,18H2,1-7H3/t30-,31-,32-/m0/s1
SMILES c1c2c(cc(c1Oc1c(c(cc3c1C[C@H]1c4c(C[C@@H]3N1C)cc(c(c4)O)OC)OC)OC)OC)CCN([C@H]2Cc1ccc(cc1)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeHernandiaceaeHernandia voyronii Ref.
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