ML-236C

CHEBI:34828 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

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:142348 CHEBI:142348
CHEBI:26188 CHEBI:26188
CHEBI:35681 CHEBI:35681
CHEBI:36785 CHEBI:36785
CHEBI:75885 CHEBI:75885

Chemical structure

Computed structure properties
Molecular formula	C18H26O3
Charge	0
Average mass	290.403 Da
Monoisotopic mass	290.18819 Da
Source	ChEBI
InChIKey	NXIASLUNMKAUTN-WFKFIOEPSA-N

SMILES

[H][C@]12CCCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1

InChI

InChI=1S/C18H26O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h4,6-7,12,14-17,19H,2-3,5,8-11H2,1H3/t12-,14+,15+,16-,17-/m0/s1

Also called

(4R,6R)-4-hydroxy-6-{2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one (EXACT_SYNONYM)— chebi
(4R,6R)-4-hydroxy-6-{2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}oxan-2-one (EXACT_SYNONYM)— chebi
Antibiotic ML 236C (EXACT_SYNONYM)— chebi
ML 236C (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:58889-18-2
kegg.compound:C14043
knapsack:C00018117
reaxys:1588586

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:34828`	ML-236C	`antibioticmech:chebi-348abba7f3`	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.