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6-hydroxymellein

PropertiesImage
MNX_IDMNXM3879 Image of MNXM3879
referencechebi:16368
formulaC10H10O4
global charge0
mol weight194.186
InChIKeyDHLPMLVSBRRUGA-RXMQYKEDSA-N
InChIInChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3/t5-/m1/s1
SMILESC[C@@H]1CC2=CC(O)=CC(O)=C2C(=O)O1
MNX internals
InChI (mnx)InChI=1/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3/t5-/m1/s1 Image of MNXM3879
SMILES (mnx)[CH3:1][C@@H:5]1[CH2:2][C:6]2=[CH:3][C:7]([OH:11])=[CH:4][C:8]([OH:12])=[C:9]2[C:10](=[O:13])[O:14]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16368
chebi:16368
DHLPMLVSBRRUGA-RXMQYKEDSA-N 		6-hydroxymellein
(-)-6-hydroxymellein
(3R)-3,4-dihydro-6,8-dihydroxy-3-methyl-isocoumarin
(3R)-6,8-dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
(R)-(-)-6-hydroxymellein
(R)-3,4-dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one
(R)-6-hydroxymellein
3,4-Dihydro-6,8-dihydroxy-3-methylisocoumarin
6,8-Dihydroxy-3-methyl-3,4-dihydroisocoumarin
6-Hydroxymellein

sabiork.compound:6174
sabiorkM:6174
kegg.compound:C02379
keggC:C02379
DHLPMLVSBRRUGA-RXMQYKEDSA-N 		6-Hydroxymellein

seed.compound:cpd01589
seedM:cpd01589
DHLPMLVSBRRUGA-RXMQYKEDSA-N 		6-Hydroxymellein
6,8-dihydroxy-3-methyl-isochroman-1-one
6-hydroxymellein

metacyc.compound:6-HYDROXYMELLEIN
metacycM:6-HYDROXYMELLEIN
DHLPMLVSBRRUGA-RXMQYKEDSA-N 		6-hydroxymellein
6,8-dihydroxy-3-methyl-isochroman-1-one

chebi:12218
chebi:20730
chebi:2199
keggC:M_C02379
seedM:M_cpd01589 		secondary/obsolete/fantasy identifier