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brazilin

PropertiesImage
MNX_IDMNXM44676 Image of MNXM44676
referencechebi:3170
formulaC16H14O5
global charge0
mol weight286.283
InChIKeyUWHUTZOCTZJUKC-JKSUJKDBSA-N
InChIInChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1
SMILESOC1=CC=C2C(=C1)OC[C@]1(O)CC3=C(C=C(O)C(O)=C3)[C@H]21
MNX internals
InChI (mnx)InChI=1/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1 Image of MNXM44676
SMILES (mnx)[CH:1]1=[CH:2][C:10]2=[C:14]([CH:4]=[C:9]1[OH:17])[O:21][CH2:7][C@:16]1([OH:20])[CH2:6][C:8]3=[CH:3][C:12]([OH:18])=[C:13]([OH:19])[CH:5]=[C:11]3[C@H:15]21
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:3170
chebi:3170
UWHUTZOCTZJUKC-JKSUJKDBSA-N 		brazilin
(+)-brazilin
(6aS,11bR)-7,11b-dihydroindeno[2,1-c]chromene-3,6a,9,10(6H)-tetrol
Brazilin
Natural Red 24
brasilin
hmdb:HMDB0249370
UWHUTZOCTZJUKC-UHFFFAOYSA-N 		(6As,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
8-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6,12,14,16-hexaene-5,10,14,15-tetrol
Brasilin
brazilin

CHEBI:91908
chebi:91908
UWHUTZOCTZJUKC-UHFFFAOYSA-N 		7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,6a,9,10-tetrol

seed.compound:cpd06810
seedM:cpd06810
kegg.compound:C09920
keggC:C09920
lipidmaps:LMPK12100062
lipidmapsM:LMPK12100062
UWHUTZOCTZJUKC-JKSUJKDBSA-N
UWHUTZOCTZJUKC-UHFFFAOYSA-N 		Brazilin

keggC:M_C09920
seedM:M_cpd06810 		secondary/obsolete/fantasy identifier