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4-O-methylrhodomycin D

Properties

Image

Occurences in reactions

MNX_ID

MNXM146510

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₉H₃₄NO₁₁

charge

mass

572.21264

reference

chebi:77074

InChIKey

KPBSBYSJFXROOJ-FUXNZPHBSA-O

InChI

InChI=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

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(OC)c1C3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77074 chebi:77074	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	4-O-methylrhodomycin D 4-O-methylrhodomycinone D
CHEBI:77179 chebi:77179	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	4-O-methylrhodomycinone D 4-O-methylrhodomycin D
seedM:M_cpd31652	secondary/obsolete/fantasy identifier