input word = C00009588

Metabolite InformationStructural formula
Name 12a-Hydroxyisomillettone
Formula C22H18O7
Mw 394.10525293
CAS RN
C_ID C00009588 ,
InChIKey ZHVWUSXXZNSTGY-UHFFFAOYNA-N
InChICode InChI=1S/C22H18O7/c1-10(2)15-5-12-14(28-15)4-3-11-20(12)29-19-8-25-16-7-18-17(26-9-27-18)6-13(16)22(19,24)21(11)23/h3-4,6-7,15,19,24H,1,5,8-9H2,2H3/t15-,19+,22+/m0/s1
SMILES C=C(C)C1Cc2c(ccc3c2OC2COc4cc5c(cc4C2(O)C3=O)OCO5)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia amboensis Ref.
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OrganismNeorautanenia amboensis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Oberholzer,Phytochem.,15,(1976),1283