input word = C00028343

Metabolite InformationStructural formula
Name Herveline C
Formula C40H46N2O7
Mw 666.33050184
CAS RN 160098-81-7
C_ID C00028343 ,
InChIKey JWKKOPFFIUBLLQ-YOLITLAQNA-N
InChICode InChI=1S/C40H46N2O7/c1-41-14-13-24-17-35(45-5)37(21-27(24)31(41)15-23-9-11-26(43-3)12-10-23)49-39-30-19-33-28-20-36(46-6)34(44-4)18-25(28)16-32(42(33)2)29(30)22-38(47-7)40(39)48-8/h9-12,17-18,20-22,31-33H,13-16,19H2,1-8H3/t31-,32-,33-/m0/s1
SMILES c1c2c(cc(c1Oc1c(c(cc3c1C[C@H]1c4c(C[C@@H]3N1C)cc(c(c4)OC)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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