novclobiocin 109

CHEBI:132424 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A hydroxycoumarin antibiotic with formula C34H35ClN2O11, that is produced by Streptomyces roseochromogenes — 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:22702 CHEBI:22702
CHEBI:25698 CHEBI:25698
CHEBI:26455 CHEBI:26455
CHEBI:33853 CHEBI:33853
CHEBI:35313 CHEBI:35313
CHEBI:36683 CHEBI:36683
CHEBI:37912 CHEBI:37912
CHEBI:63367 CHEBI:63367

Chemical structure

Computed structure properties
Molecular formula	C34H35ClN2O11
Charge	0
Average mass	683.11 Da
Monoisotopic mass	682.19294 Da
Source	ChEBI
InChIKey	PKUNXGQLUGXWJB-ZQZBKPNISA-N

SMILES

CO[C@@H]1[C@@H](OC(=O)c2cccn2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C

InChI

InChI=1S/C34H35ClN2O11/c1-16(2)8-9-17-15-18(10-12-21(17)38)30(41)37-24-25(39)19-11-13-22(23(35)27(19)46-32(24)43)45-33-26(40)28(29(44-5)34(3,4)48-33)47-31(42)20-7-6-14-36-20/h6-8,10-15,26,28-29,33,36,38-40H,9H2,1-5H3,(H,37,41)/t26-,28+,29-,33-/m1/s1

Also called

(3R,4S,5R,6S)-6-({8-chloro-4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-2-oxo-2H-1-benzopyran-7-yl}oxy)-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl 1H--pyrrole-2-carboxylate (EXACT_SYNONYM)— chebi

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:132424`	novclobiocin 109	`antibioticmech:chebi-5d5d70c9d7`	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.