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pelargonidin

MNXM3333 is deprecated and here replaced by MNXM1369123
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369123 Image of MNXM1369123
referencechebi:144777
formulaC15H9O5
global charge-1
mol weight269.232
InChIKeyXVFMGWDSJLBXDZ-UHFFFAOYSA-M
InChIInChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p-1
SMILES[O-]C1=CC2=C([O-])C=C(O)C=C2[O+]=C1C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19) Image of MNXM1369123
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:16])=[CH:4][CH:2]=[C:8]1[C:15]1=[O+:20][C:14]2=[CH:6][C:10]([OH:17])=[CH:5][C:12]([OH:18])=[C:11]2[CH:7]=[C:13]1[O-:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144777
chebi:144777
XVFMGWDSJLBXDZ-UHFFFAOYSA-M 		pelargonidin
7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3,5-bis(olate)
7-hydroxy-2-(4-hydroxyphenyl)chromenium-3,5-bis(olate)
pelargonidin(1-)

lipidmaps:LMPK12010003
lipidmapsM:LMPK12010003
XVFMGWDSJLBXDZ-UHFFFAOYSA-O 		Pelargonidin
hmdb:HMDB0003263
XVFMGWDSJLBXDZ-UHFFFAOYSA-O 		Pelargonidin
3,4',5,7-Tetrahydroxyflavylium chloride
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-chromen-2-ylium
Pelargonidin chloride
Pelargonidine
Pelargonidol chloride
Pelarogonidin

sabiork.compound:8254
sabiorkM:8254
kegg.compound:C05904
keggC:C05904
XVFMGWDSJLBXDZ-UHFFFAOYSA-O 		Pelargonidin
3,4',5,7-Tetrahydroxyflavylium chloride
3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
Pelargonidin chloride
Pelargonidol chloride

metacyc.compound:PELARGONIDIN-CMPD
metacycM:PELARGONIDIN-CMPD
XVFMGWDSJLBXDZ-UHFFFAOYSA-M 		pelargonidin

CHEBI:25863
chebi:25863
XVFMGWDSJLBXDZ-UHFFFAOYSA-O 		pelargonidin
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium

hmdb:HMDB03263
keggC:M_C05904 		secondary/obsolete/fantasy identifier