input word = C00045272

Metabolite InformationStructural formula
Name Dadahol A
(+)-Dadahol A
Formula C39H38O12
Mw 698.23632668
CAS RN 405281-76-7
C_ID C00045272 ,
InChIKey IKHAPHPJWABCCU-RCJFVQTBNA-N
InChICode InChI=1S/C39H38O12/c1-46-32-23-28(12-17-31(32)42)38(45)35(24-50-37(44)19-11-26-8-15-30(41)16-9-26)51-39-33(47-2)21-27(22-34(39)48-3)5-4-20-49-36(43)18-10-25-6-13-29(40)14-7-25/h4-19,21-23,35,38,40-42,45H,20,24H2,1-3H3/b5-4+,18-10+,19-11+/t35-,38+/m1/s1
SMILES c1(ccc(cc1OC)[C@@H]([C@H](Oc1c(cc(cc1OC)/C=C/COC(=O)/C=C/c1ccc(cc1)O)OC)COC(=O)/C=C/c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeArtocarpus dadah Ref.
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