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(1'S,5'R)-5'-hydroxyaverantin

MNXM9369 is deprecated and here replaced by MNXM741541
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741541 Image of MNXM741541
referencechebi:71536
formulaC20H20O8
global charge0
mol weight388.372
InChIKeyGGNDESPZSKTNHV-PELKAZGASA-N
InChIInChI=1S/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12+/m1/s1
SMILESC[C@@H](O)CCC[C@H](O)C1=C(O)C=C2C(=O)C3=C(C(=O)C2=C1O)C(O)=CC(O)=C3
MNX internals
InChI (mnx)InChI=1/C20H20O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12+/m1/s1 Image of MNXM741541
SMILES (mnx)[CH3:1][C@H:8]([CH2:3][CH2:2][CH2:4][C@@H:12]([C:17]1=[C:14]([OH:25])[CH:7]=[C:11]2[C:16](=[C:20]1[OH:28])[C:19](=[O:27])[C:15]1=[C:10]([CH:5]=[C:9]([OH:22])[CH:6]=[C:13]1[OH:24])[C:18]2=[O:26])[OH:23])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71536
chebi:71536
GGNDESPZSKTNHV-PELKAZGASA-N 		(1'S,5'R)-5'-hydroxyaverantin
2-[(1S,5R)-1,5-dihydroxyhexyl]-1,3,6,8-tetrahydroxy-9,10-anthraquinone

seed.compound:cpd31145
seedM:cpd31145
kegg.compound:C20501
keggC:C20501
GGNDESPZSKTNHV-PELKAZGASA-N 		(1'S,5'R)-5'-Hydroxyaverantin
(1'S,5'R)-Hydroxyaverantin

metacyc.compound:CPD-10165
metacycM:CPD-10165
seed.compound:cpd22585
seedM:cpd22585
GGNDESPZSKTNHV-PELKAZGASA-L
GGNDESPZSKTNHV-PELKAZGASA-N 		(1'S,5'R)-hydroxyaverantin

keggC:M_C20501
seedM:M_cpd22585
seedM:M_cpd31145 		secondary/obsolete/fantasy identifier