input word = C00001989

Metabolite InformationStructural formula
Name Adouetine Y
Formula C34H40N4O4
Mw 568.30495579
CAS RN 19542-38-2
C_ID C00001989 ,
InChIKey GVFKEVFAPIUOAI-LWHWOHKLNA-N
InChICode InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-/t23-,28-,29-,30-,31+/m0/s1
SMILES c12ccc(cc1)/C=C\NC(=O)[C@@H](NC(=O)[C@H]([C@H](O2)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeWaltheria americana Ref.
PlantaeRhamnaceaeCeanothus americanus Ref.
PlantaeRhamnaceaeDiscaria americana Ref.
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OrganismCeanothus americanus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter24