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DHK-OH

PropertiesImage
MNX_IDMNXM11347 Image of MNXM11347
referencechebi:81704
formulaC16H16O7
global charge0
mol weight320.297
InChIKeyYVNZMUZXESMJTM-RQJHMYQMSA-N
InChIInChI=1S/C16H16O7/c1-6-12-8(4-7(23-6)5-11(19)20)15(21)13-9(17)2-3-10(18)14(13)16(12)22/h2-3,6-7,17-18,21-22H,4-5H2,1H3,(H,19,20)/t6-,7+/m1/s1
SMILESC[C@H]1O[C@H](CC(=O)O)CC2=C(O)C3=C(O)C=CC(O)=C3C(O)=C21
MNX internals
InChI (mnx)InChI=1/C16H16O7/c1-6-12-8(4-7(23-6)5-11(19)20)15(21)13-9(17)2-3-10(18)14(13)16(12)22/h2-3,6-7,17-18,21-22H,4-5H2,1H3,(H,19,20)/t6-,7+/m1/s1 Image of MNXM11347
SMILES (mnx)[CH3:1][C@@H:6]1[C:12]2=[C:16]([OH:22])[C:14]3=[C:10]([OH:18])[CH:3]=[CH:2][C:9]([OH:17])=[C:13]3[C:15]([OH:21])=[C:8]2[CH2:4][C@@H:7]([CH2:5][C:11](=[O:19])[OH:20])[O:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:81704
chebi:81704
YVNZMUZXESMJTM-RQJHMYQMSA-N 		DHK-OH
Hydroxylated dihydrokalafungin

seed.compound:cpd19623
seedM:cpd19623
YVNZMUZXESMJTM-RQJHMYQMSA-M 		DHK-OH
-[(1R,3S)-5,6,9,10-tetrahydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate
DHKred-OH
Hydroxylated dihydrokalafungin
Hydroxylated dihydrokalafungin dihydroquinone

kegg.compound:C18358
keggC:C18358
YVNZMUZXESMJTM-RQJHMYQMSA-N 		DHKred-OH
Hydroxylated dihydrokalafungin dihydroquinone

metacyc.compound:CPD-19412
metacycM:CPD-19412
YVNZMUZXESMJTM-RQJHMYQMSA-M 		THN
-[(1R,3S)-5,6,9,10-tetrahydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate

keggC:M_C18358
seedM:M_cpd19623 		secondary/obsolete/fantasy identifier