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 c12ccc3c(c1C=CC(O2)(C)C)O[C@H]1[C@@](C3=O)(c2cc3c(cc2OC1)OCO3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia dura Ref.
PlantaeFabaceaeMillettia usaramensis subsp. usaramensis Ref.
zoom in