Search MNXref
 Feedback

4-O-methylrhodomycin D

PropertiesImage
MNX_IDMNXM146510 Image of MNXM146510
referencechebi:77074
formulaC29H34NO11
global charge1
mol weight572.587
InChIKeyKPBSBYSJFXROOJ-FUXNZPHBSA-O
InChIInChI=1S/C29H33NO11/c1-5-29(37)10-15(41-16-9-13(30)23(31)11(2)40-16)18-19(22(29)28(36)39-4)27(35)20-21(26(18)34)25(33)17-12(24(20)32)7-6-8-14(17)38-3/h6-8,11,13,15-16,22-23,31,34-35,37H,5,9-10,30H2,1-4H3/p+1/t11-,13-,15-,16-,22-,23+,29+/m0/s1
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O)[C@H]1C(=O)OC
MNX internals
InChI (mnx)InChI=1/C29H33NO11/c1-5-29(37)10-15(41-16-9-13(30)23(31)11(2)40-16)18-19(22(29)28(36)39-4)27(35)20-21(26(18)34)25(33)17-12(24(20)32)7-6-8-14(17)38-3/h6-8,11,13,15-16,22-23,31,34-35,37H,5,9-10,30H2,1-4H3/t11-,13-,15-,16-,22-,23+,29+/m0/s1 Image of MNXM146510
SMILES (mnx)[CH3:1][CH2:5][C@@:29]1([OH:37])[CH2:10][C@H:15]([O:41][C@H:16]2[CH2:9][C@H:13]([NH2:30])[C@H:23]([OH:31])[C@H:11]([CH3:2])[O:40]2)[C:18]2=[C:26]([OH:34])[C:21]3=[C:20]([C:24](=[O:32])[C:12]4=[C:17]([C:14]([O:38][CH3:3])=[CH:8][CH:6]=[CH:7]4)[C:25]3=[O:33])[C:27]([OH:35])=[C:19]2[C@H:22]1[C:28](=[O:36])[O:39][CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77074
chebi:77074
KPBSBYSJFXROOJ-FUXNZPHBSA-O 		4-O-methylrhodomycin D
(1S,3R,4R)-3-ethyl-3,5,12-trihydroxy-10-methoxy-4-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
4-O-methylrhodomycin D(1+)
4-O-methylrhodomycinone D(1+)

seed.compound:cpd31652
seedM:cpd31652
KPBSBYSJFXROOJ-FUXNZPHBSA-O 		4-O-methylrhodomycin D
4-O-methylrhodomycinone D

CHEBI:77179
chebi:77179
KPBSBYSJFXROOJ-FUXNZPHBSA-N 		4-O-methylrhodomycin D
4-O-methylrhodomycinone D
7-O-daunosaminyl-4-O-methyl-epsilon-rhodomycinone
methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

metacyc.compound:CPD-15783
metacycM:CPD-15783
KPBSBYSJFXROOJ-FUXNZPHBSA-O 		4-O-methylrhodomycinone D
4-O-methylrhodomycin D

seedM:M_cpd31652 		secondary/obsolete/fantasy identifier