6α-malonyloxymanoyl oxide

CHEBI:66662 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

The malonate ester of a labdane diterpenoid. Isolated from the aerial parts of Stemodia foliosa, it exhibits antibacterial activity. — 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:36770 CHEBI:36770
CHEBI:37407 CHEBI:37407
CHEBI:38083 CHEBI:38083

Chemical structure

Computed structure properties
Molecular formula	C23H36O5
Charge	0
Average mass	392.536 Da
Monoisotopic mass	392.25627 Da
Source	ChEBI
InChIKey	JZRGFUZJIZSKTF-ALFLKXBZSA-N

SMILES

[H][C@]12CC[C@](C)(C=C)O[C@]1(C)C[C@H](OC(=O)CC(=O)O)[C@@]1([H])C(C)(C)CCC[C@]21C

InChI

InChI=1S/C23H36O5/c1-7-21(4)12-9-16-22(5)11-8-10-20(2,3)19(22)15(14-23(16,6)28-21)27-18(26)13-17(24)25/h7,15-16,19H,1,8-14H2,2-6H3,(H,24,25)/t15-,16+,19-,21-,22+,23+/m0/s1

Also called

3-{[(3R,4aR,6S,6aS,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-3-oxopropanoic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:19154464

Activity roles

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

CHEBI:33282 CHEBI:33282

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:66662`	6α-malonyloxymanoyl oxide	`antibioticmech:chebi-99bfe821e3`	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.