input word = C00023811

Metabolite InformationStructural formula
Name Carbomethoxyacetylquercinic acid
Formula C35H54O7
Mw 586.38695408
CAS RN 38906-93-3
C_ID C00023811 ,
InChIKey KCXIBUDBGJXGAS-YTAPLDCVNA-N
InChICode InChI=1S/C35H54O7/c1-20(18-26(36)21(2)22(3)31(39)40)23-12-16-35(8)25-10-11-27-32(4,5)28(42-30(38)19-29(37)41-9)14-15-33(27,6)24(25)13-17-34(23,35)7/h20-23,27-28H,10-19H2,1-9H3,(H,39,40)/t20-,21+,22+,23-,27-,28-,33-,34+,35+/m1/s1
SMILES C1[C@H](C([C@@H]2[C@](C1)(C1=C(CC2)[C@]2([C@](CC1)(C)[C@H](CC2)[C@@H](CC(=O)[C@@H](C)[C@@H](C(=O)O)C)C)C)C)(C)C)OC(=O)CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiFomitopsidaceaeDaedalea dicknsii Ref.
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OrganismDaedalea dicknsii
ReferenceInouye,Z.Naturforsch.,Teil B,25,(1970),1194-1195