Concept information
Preferred term
3,4,5-trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-2-yl)-5-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C27H30O12
inchi
- InChI=1S/C27H30O12/c1-11(2)4-6-14-16(36-3)10-19(38-27-24(33)22(31)23(32)25(39-27)26(34)35)20(21(14)30)18-9-15(29)13-7-5-12(28)8-17(13)37-18/h4-5,7-8,10,18,22-25,27-28,30-33H,6,9H2,1-3H3,(H,34,35)
inchikey
- QEMZKSDREVQVRA-UHFFFAOYSA-N
mass
- 546.525
monoisotopicmass
- 546.17373
smiles
- O1C(OC2=C(C3OC4=C(C(=O)C3)C=CC(O)=C4)C(O)=C(C(OC)=C2)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O
subset
- 2_STAR
synonym EXACT
- 3,4,5-trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxy-4-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:185984
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