CHEBI:216115 - Ascotricin B

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ChEBI Name Ascotricin B
ChEBI ID CHEBI:216115
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H38O11
Net Charge 0
Average Mass 562.612
Monoisotopic Mass 562.24141
InChI InChI=1S/C29H38O11/c1-3-5-7-9-16-11-18(30)14-20(12-16)38-28(37)22-17(10-8-6-4-2)13-19(31)15-21(22)39-29-25(34)23(32)24(33)26(40-29)27(35)36/h11-15,23-26,29-34H,3-10H2,1-2H3,(H,35,36)/t23-,24+,25+,26-,29+/m0/s1
InChIKey CDVSTZXXDMGJKX-MQYJMQNVSA-N
SMILES O=C(OC1=CC(O)=CC(=C1)CCCCC)C2=C(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]([C@H]3O)O)C=C(O)C=C2CCCCC
Metabolite of Species Details
Ascotricha (NCBI:txid79810) See: PubMed
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing Ascotricin B (CHEBI:216115) is a tannin (CHEBI:26848)
IUPAC Name
(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxy)carbonyl-3-pentylphenoxy]oxane-2-carboxylic acid
Manual Xref Database
78438108 ChemSpider
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