input word = C00044540

Metabolite InformationStructural formula
Name Artocommunol CB
Formula C35H40O6
Mw 556.28248901
CAS RN 502627-54-5
C_ID C00044540 ,
InChIKey MXUVULSNGAUYDB-WSDLNYQXSA-N
InChICode InChI=1S/C35H40O6/c1-20(2)9-8-10-22(5)12-15-25-30(38)29-31(39)26(14-11-21(3)4)33-27(17-18-35(6,7)41-33)34(29)40-32(25)24-16-13-23(36)19-28(24)37/h9,11-13,16-19,36-37,39H,8,10,14-15H2,1-7H3/b22-12+
SMILES C1=Cc2c(OC1(C)C)c(c(c1c2oc(c(c1=O)C/C=C(\C)/CCC=C(C)C)c1ccc(cc1O)O)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeArtocarpus communis Ref.
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OrganismArtocarpus communis
ReferenceChan,J.Nat.Prod.,66,(2003),427