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Mammea A/AB, (-)-

PropertiesImage
MNX_IDMNXM28912 Image of MNXM28912
referencechebi:69991
formulaC25H26O5
global charge0
mol weight406.478
InChIKeyYALRCXHVQYBSJC-HNNXBMFYSA-N
InChIInChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3/t15-/m0/s1
SMILESCC[C@H](C)C(=O)C1=C(O)C2=C(OC(=O)C=C2C2=CC=CC=C2)C(CC=C(C)C)=C1O
MNX internals
InChI (mnx)InChI=1/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3/t15-/m0/s1 Image of MNXM28912
SMILES (mnx)[CH3:1][CH2:5][C@H:15]([CH3:4])[C:22]([C:21]1=[C:23]([OH:28])[C:17]([CH2:12][CH:11]=[C:14]([CH3:2])[CH3:3])=[C:25]2[C:20](=[C:24]1[OH:29])[C:18]([C:16]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)=[CH:13][C:19](=[O:26])[O:30]2)=[O:27]
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:69991
chebi:69991
YALRCXHVQYBSJC-HNNXBMFYSA-N 		Mammea A/AB, (-)-
(-)-7-dihydroxy-6-[(2S)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one

lipidmaps:LMPK12100018
lipidmapsM:LMPK12100018
YALRCXHVQYBSJC-UHFFFAOYSA-N 		5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-(2-methylbutyryl)-4-phenylcoumarin
hmdb:HMDB0030778
YALRCXHVQYBSJC-UHFFFAOYSA-N 		Mammea A/AB
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-phenyl-2H-1-benzopyran-2-one, 9ci
5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(2-methylbutyryl)-4-phenylcoumarin, 8ci
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-6-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one
5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-6-(2-methylbutanoyl)-4-phenylchromen-2-one
MAB 1

CHEBI:175251
chebi:175251
YALRCXHVQYBSJC-UHFFFAOYSA-N 		Mammea A/AB
5,7-dihydroxy-6-(2-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one

hmdb:HMDB30778 		secondary/obsolete/fantasy identifier