input word = C00060282

Metabolite InformationStructural formula
Name Chebulanin
Formula C27H24O19
Mw 652.09117859
CAS RN 166833-80-3
C_ID C00060282
InChIKey HPQIRFXIDGVWBA-FXQVFZSJSA-N
InChICode InChI=1S/C27H24O19/c28-5-12-20-19(37)22(27(42-12)46-23(38)6-1-9(29)16(34)10(30)2-6)45-24(39)7-3-11(31)17(35)21-15(7)14(18(36)26(41)44-21)8(4-13(32)33)25(40)43-20/h1-3,8,12,14,18-20,22,27-31,34-37H,4-5H2,(H,32,33)
SMILES O=C(O)CC1C(=O)OC2C(CO)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c4c3C1C(O)C(=O)O4)C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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