input word = C00009587

Metabolite InformationStructural formula
Name Millettosin
12a-Hydroxymillettone
Formula C22H18O7
Mw 394.10525293
CAS RN 632333-42-7
C_ID C00009587 ,
InChIKey UMORYJJPSIXKBM-MSODYQBLNA-N
InChICode InChI=1S/C22H18O7/c1-21(2)6-5-11-14(29-21)4-3-12-19(11)28-18-9-25-15-8-17-16(26-10-27-17)7-13(15)22(18,24)20(12)23/h3-8,18,24H,9-10H2,1-2H3/t18-,22-/m1/s1
SMILES CC1(C)C=Cc2c(ccc3c2O[C@@H]2COc4cc5c(cc4[C@]2(O)C3=O)OCO5)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia dura Ref.
PlantaeFabaceaeMillettia usaramensis subsp. usaramensis Ref.
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OrganismMillettia dura
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Ollis,Tetrahedron,23,(1967),4741