CHEBI:198425 - Sordarin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sordarin D
ChEBI ID CHEBI:198425
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O9
Net Charge 0
Average Mass 506.592
Monoisotopic Mass 506.25158
InChI InChI=1S/C27H38O9/c1-12(2)18-19(29)17-9-25(10-28)16-7-6-13(3)15(16)8-26(17,27(18,25)24(32)33)11-35-23-21(31)20(30)22(34-5)14(4)36-23/h10,13-17,20-23,30-31H,6-9,11H2,1-5H3,(H,32,33)/t13-,14-,15-,16-,17-,20+,21+,22-,23-,25+,26+,27+/m1/s1
InChIKey NDEIUYRUUIQFMO-QLTKOINASA-N
SMILES O=C1C(=C(C)C)[C@]2(C(=O)O)[C@@]3(C=O)[C@@H]4CC[C@H]([C@H]4C[C@@]2([C@@H]1C3)CO[C@@H]5O[C@@H]([C@@H](OC)[C@H]([C@@H]5O)O)C)C
Metabolite of Species Details
Xylotumulus gibbisporus (NCBI:txid561973) See: PubMed
ChEBI Ontology
Outgoing Sordarin D (CHEBI:198425) is a terpene glycoside (CHEBI:61777)
IUPAC Name
(1R,2S,4R,5R,8R,9S,11S)-2-[[(2R,3S,4S,5S,6R)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxymethyl]-9-ormyl-5-methyl-12-oxo-13-propan-2-ylidenetetracyclo[7.4.0.02,11.04,8]tridecane-1-carboxylic acid
Manual Xref Database
78440729 ChemSpider
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