input word = C00006523

Metabolite InformationStructural formula
Name Semecarpetin
Formula C34H30O9
Mw 582.18898256
CAS RN 117823-98-0
C_ID C00006523 ,
InChIKey PUZBENASFBKDLA-UHFFFAOYNA-N
InChICode InChI=1S/C34H30O9/c1-38-20-7-8-21-25(36)16-29(42-31(21)15-20)18-5-11-27(39-2)23(13-18)33-24(35)10-9-22-26(37)17-30(43-34(22)33)19-6-12-28(40-3)32(14-19)41-4/h5-15,29-30,35H,16-17H2,1-4H3/t29-,30+/m0/s1
SMILES c1c(c(ccc1[C@H]1Oc2c(C(=O)C1)ccc(c2)OC)OC)c1c(ccc2c1O[C@H](CC2=O)c1cc(c(cc1)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeSemecarpus anacardium Ref.
PlantaeAnacardiaceaeSemecarpus kurzii Ref.
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