aklaviketone

CHEBI:75244 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A carboxylic ester that is the methyl ester of (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-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:25830 CHEBI:25830
CHEBI:26195 CHEBI:26195
CHEBI:26878 CHEBI:26878
CHEBI:35294 CHEBI:35294
CHEBI:48132 CHEBI:48132
CHEBI:51286 CHEBI:51286

Chemical structure

Computed structure properties
Molecular formula	C22H18O8
Charge	0
Average mass	410.378 Da
Monoisotopic mass	410.10017 Da
Source	ChEBI
InChIKey	MHAXMIHGEZOCTQ-HTAPYJJXSA-N

SMILES

CC[C@@]1(O)CC(=O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC

InChI

InChI=1S/C22H18O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,17,23,27,29H,3,8H2,1-2H3/t17-,22+/m0/s1

Also called

methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate (EXACT_SYNONYM)— chebi
S-383-Y (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:116235-59-7
kegg.compound:C12423
knapsack:C00017921
reaxys:4276730

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:75244`	aklaviketone	`antibioticmech:chebi-37e2e4b633`	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.