input word = C00018992

Metabolite InformationStructural formula
Name Desmodianone D
2,3-Dihydro-5,7-dihydroxy-6-methyl-3-(1a,2,3,3a,8b,8c-hexahydro-6-hydroxy-1,1,3a-trimethyl-1H-4-oxabenzo[f]cyclobut[c,d]inden-7-yl)-4H-1-benzopyran-4-one
Formula C26H28O6
Mw 436.18858863
CAS RN 623144-10-5
C_ID C00018992 ,
InChIKey UVHLXFVVOMQROE-UHFFFAOYNA-N
InChICode InChI=1S/C26H28O6/c1-11-16(27)8-19-20(23(11)29)24(30)14(10-31-19)12-7-13-18(9-17(12)28)32-26(4)6-5-15-22(26)21(13)25(15,2)3/h7-9,14-15,21-22,27-29H,5-6,10H2,1-4H3/t14-,15+,21-,22-,26-/m0/s1
SMILES c1(c(c(c2c(c1)OC[C@H](C2=O)c1c(cc2c(c1)[C@H]1[C@H]3[C@@](O2)(CC[C@H]3C1(C)C)C)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDesmodium incanum Ref.
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