input word = C00018993

Metabolite InformationStructural formula
Name Desmodianone E
2,3-Dihydro-5,7-dihydroxy-6-methyl-3-(6a,7,8,10a-tetrahydro-3-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-2-yl)-4H-1-benzopyran-4-one
Formula C26H28O6
Mw 436.18858863
CAS RN 623144-11-6
C_ID C00018993 ,
InChIKey ZEHGQRSTISIYCB-UHFFFAOYNA-N
InChICode InChI=1S/C26H28O6/c1-12-5-6-18-14(7-12)16-8-15(20(28)10-21(16)32-26(18,3)4)17-11-31-22-9-19(27)13(2)24(29)23(22)25(17)30/h7-10,14,17-18,27-29H,5-6,11H2,1-4H3/t14-,17+,18-/m0/s1
SMILES c1(c(c(c2c(c1)OC[C@@H](C2=O)c1c(cc2c(c1)[C@H]1[C@@H](C(O2)(C)C)CCC(=C1)C)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDesmodium incanum Ref.
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OrganismDesmodium incanum
ReferenceBotta,Phytochem.,64,(2003),599