patulitrin
Chemical Formula:
C22H21O13
Molecular Weight:
493.4 Daltons
Monoisotopic Mass:
494.10604079350003 Daltons
SMILES:
COC4(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(OC3(C(C(C(O)C(O3)CO)O)O))=4)[O-]))
InChI:
1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/p-1/t12-,14-,17+,19-,22-/m1/s1
InChIKey:
Synonyms
- 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Databases
MetaCyc:
CPD-14909
PubChem (CID):
90659219
ChemSpider:
4478519
MetaNetX:
MNXM68980