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13-dihydrocarminomycin

MNXM6643 is deprecated and here replaced by MNXM739323
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739323 Image of MNXM739323
referencechebi:140330
formulaC26H30NO10
global charge1
mol weight516.523
InChIKeyYXBSCYMMPXQFDS-LBIZDXDESA-O
InChIInChI=1S/C26H29NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9-10,13,15-16,21,28-30,32,34-35H,6-8,27H2,1-2H3/p+1/t9-,10+,13-,15-,16-,21+,26-/m0/s1
SMILESC[C@@H]1O[C@@H](O[C@H]2C[C@](O)([C@@H](C)O)CC3=C2C(O)=C2C(=O)C4=C(O)C=CC=C4C(=O)C2=C3O)C[C@H]([NH3+])[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C26H29NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9-10,13,15-16,21,28-30,32,34-35H,6-8,27H2,1-2H3/t9-,10+,13-,15-,16-,21+,26-/m0/s1 Image of MNXM739323
SMILES (mnx)[CH3:1][C@H:9]1[C@@H:21]([OH:30])[C@@H:13]([NH2:27])[CH2:6][C@H:16]([O:37][C@H:15]2[CH2:8][C@@:26]([C@@H:10]([CH3:2])[OH:28])([OH:35])[CH2:7][C:12]3=[C:23]([OH:32])[C:19]4=[C:20]([C:24](=[O:33])[C:17]5=[C:11]([CH:4]=[CH:3][CH:5]=[C:14]5[OH:29])[C:22]4=[O:31])[C:25]([OH:34])=[C:18]32)[O:36]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:140330
chebi:140330
YXBSCYMMPXQFDS-LBIZDXDESA-O 		13-dihydrocarminomycin
(13R)-13-dihydrocarminomycin(1+)
(1S,3S)-3,5,10,12-tetrahydroxy-3-[(1R)-1-hydroxyethyl]-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

CHEBI:31058
chebi:31058
YXBSCYMMPXQFDS-LBIZDXDESA-N 		(13R)-13-dihydrocarminomycin
(1S,3S)-3,5,10,12-tetrahydroxy-3-[(1R)-1-hydroxyethyl]-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
Antibiotic 32999RP
Carminomycinol
Dihydrocarminomycin
Dihydrokarminomycin
RP-32999

kegg.compound:C12431
keggC:C12431
YXBSCYMMPXQFDS-XELZYMDQSA-N 		13-Dihydrocarminomycin

seed.compound:cpd09183
seedM:cpd09183
YXBSCYMMPXQFDS-XELZYMDQSA-O 		13-Dihydrocarminomycin
13-dihydrocarminomycin

metacyc.compound:CPD-15736
metacycM:CPD-15736
YXBSCYMMPXQFDS-XELZYMDQSA-O 		13-dihydrocarminomycin

keggC:M_C12431
seedM:M_cpd09183 		secondary/obsolete/fantasy identifier