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Merochlorophaeic acid

PropertiesImage
MNX_IDMNXM747613 Image of MNXM747613
referencechebi:144270
formulaC24H30O8
global charge0
mol weight446.496
InChIKeyAAKHGLJWUOZNTQ-UHFFFAOYSA-N
InChIInChI=1S/C24H30O8/c1-5-7-8-10-15-12-17(25)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-18(19)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28)
SMILESCCCCCC1=C(C(=O)O)C(O)=C(OC(=O)C2=C(OC)C=C(OC)C=C2CCC)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C24H30O8/c1-5-7-8-10-15-12-17(25)22(21(26)20(15)23(27)28)32-24(29)19-14(9-6-2)11-16(30-3)13-18(19)31-4/h11-13,25-26H,5-10H2,1-4H3,(H,27,28) Image of MNXM747613
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:8][CH2:10][C:15]1=[CH:12][C:17]([OH:25])=[C:22]([O:32][C:24]([C:19]2=[C:18]([O:31][CH3:4])[CH:13]=[C:16]([O:30][CH3:3])[CH:11]=[C:14]2[CH2:9][CH2:6][CH3:2])=[O:29])[C:21]([OH:26])=[C:20]1[C:23](=[O:27])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144270
chebi:144270
AAKHGLJWUOZNTQ-UHFFFAOYSA-N
Merochlorophaeic acid