ε-rhodomycinone

CHEBI:75291 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A carboxylic ester that is the methyl ester of (1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:25248 CHEBI:25248
CHEBI:26195 CHEBI:26195
CHEBI:35294 CHEBI:35294
CHEBI:48132 CHEBI:48132
CHEBI:51286 CHEBI:51286

Chemical structure

Computed structure properties
Molecular formula	C22H20O9
Charge	0
Average mass	428.393 Da
Monoisotopic mass	428.11073 Da
Source	ChEBI
InChIKey	PYFOXRACBORDCT-GOSXWKPOSA-N

SMILES

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

InChI

InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1

Also called

methyl (1R,2R,4S)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate (EXACT_SYNONYM)— chebi
E-Rhodomycinone (EXACT_SYNONYM)— chebi
NSC 196524 (EXACT_SYNONYM)— chebi
Rhodomycinone (EXACT_SYNONYM)— chebi
epsilon-Rhodomycinone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:21288-60-8
kegg.compound:C12425
metacyc.compound:CPD-13972
reaxys:2194693

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33281 CHEBI:33281

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:75291`	ε-rhodomycinone	`antibioticmech:chebi-6b998211c9`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.