isovanillobiocin

antibioticmech:aro-f538304a82 ·ANTIBACTERIAL ·MINTED SEEDED

Antibiotic similar to clorobiocin, but with vanillic acid as the acyl component instead of crenelated 4-hydroxybenzoic acid. Different from vanillobiocin by the position of the pyrrole unit attached to the sugar moiety of the antibiotic. — PMID:15152806

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

aminocoumarin antibioticARO:3000103

Strictly broader compounds or drug classes this molecule belongs to.

ARO:3000103 ARO:3000103

Chemical structure

Computed structure properties
Molecular formula	C31H31ClN2O12
Charge	0
Average mass	659.0 Da
Monoisotopic mass	658.1565521 Da
Source	PubChem · retrieved 2026-08-29
InChIKey	AKYRQFMQZJFLAE-UHFFFAOYSA-N

SMILES

CC1=CC=C(N1)C(=O)OC2C(C(C(OC2OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)OC)O)Cl)(C)C)OC)O

InChI

InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)

Cross-references

Equivalent identifiers for this same structure in other resources.

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
ARO	`ARO:3004717`	isovanillobiocin	`antibioticmech:aro-f538304a82`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (ARO)
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.