FR207944

CHEBI:65913 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A triterpene glycoside with strong antifungal activity against Aspergillus fumigatus and Candida albicans. It is isolated from natural Chaetomium sp.no.217. — 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.

Label unavailable CHEBI:25384
Label unavailable CHEBI:47622
Label unavailable CHEBI:61778
Label unavailable CHEBI:63367

Chemical structure

Computed structure properties
Molecular formula	C38H62O10
Charge	0
Average mass	678.904 Da
Monoisotopic mass	678.4343 Da
Source	ChEBI
InChIKey	VAULMUOCCMYLIA-SQBLQFOUSA-N

SMILES

[H][C@@]1(O[C@H]2[C@H](OC(C)=O)C[C@]3(C)C4=C(CC[C@@]3([H])C2(C)C)[C@@]2(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(=O)O)[C@]2(C)CC4)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C38H62O10/c1-19(2)20(3)35(7)15-16-37(9)23-11-12-26-34(5,6)31(48-33-29(43)28(42)27(41)25(18-39)47-33)24(46-21(4)40)17-36(26,8)22(23)13-14-38(37,10)30(35)32(44)45/h19-20,24-31,33,39,41-43H,11-18H2,1-10H3,(H,44,45)/t20-,24-,25-,26+,27-,28+,29-,30-,31+,33+,35-,36-,37-,38+/m1/s1

Also called

(1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-8-(β-D-glucopyranosyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid (EXACT_SYNONYM)— chebi

Activity roles

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

antimicrobial agent CHEBI:33281
antifungal agent CHEBI:35718

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:65913`	FR207944	`antibioticmech:chebi-b4de2a111b`	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 (YAML).

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