neothyonidioside

CHEBI:82825 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A triterpene glycoside obtained from the New Zealand and South Australian sea cucumber Australostichopus mollis. — 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:25000 CHEBI:25000
CHEBI:25872 CHEBI:25872
CHEBI:37909 CHEBI:37909
CHEBI:61778 CHEBI:61778
CHEBI:63567 CHEBI:63567
CHEBI:78840 CHEBI:78840

Chemical structure

Computed structure properties
Molecular formula	C53H82O24S
Charge	0
Average mass	1135.282 Da
Monoisotopic mass	1134.49167 Da
Source	ChEBI
InChIKey	OQBFQOOZNQRQAW-INFQXDPISA-N

SMILES

[H][C@]12C(=O)C[C@]3(C)[C@@]1(CC=C1[C@@]3([H])CC[C@@]3([H])C(C)(C)[C@@H](O[C@@H]4OC[C@@H](OS(=O)(=O)O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)CC[C@]13C)C(=O)O[C@@]2(C)CCCC(=C)C

InChI

InChI=1S/C53H82O24S/c1-23(2)11-10-16-52(8)43-27(55)19-51(7)26-12-13-31-49(4,5)32(15-17-50(31,6)25(26)14-18-53(43,51)48(63)76-52)72-47-42(34(58)30(22-69-47)77-78(64,65)66)75-45-36(60)35(59)39(24(3)70-45)73-44-37(61)40(28(56)21-68-44)74-46-38(62)41(67-9)33(57)29(20-54)71-46/h14,24,26,28-47,54,56-62H,1,10-13,15-22H2,2-9H3,(H,64,65,66)/t24-,26-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47+,50-,51+,52+,53-/m1/s1

Also called

(3β)-16,18-dioxo-18,20-epoxylanosta-9(11),25-dien-3-yl 3-O-methyl-β-D-glucopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside (EXACT_SYNONYM)— chebi

Activity roles

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

CHEBI:35718 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:82825`	neothyonidioside	`antibioticmech:chebi-805366adbd`	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.