CHEBI:198647 - Phaeoside

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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 Phaeoside
ChEBI ID CHEBI:198647
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H44O7
Net Charge 0
Average Mass 468.631
Monoisotopic Mass 468.30870
InChI InChI=1S/C26H44O7/c1-7-24(4)12-8-17-25(5,33-24)13-9-16-23(2,3)11-10-18(26(16,17)6)32-22-21(30)20(29)19(28)15(14-27)31-22/h7,15-22,27-30H,1,8-14H2,2-6H3/t15-,16-,17-,18+,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey IQPDQUKPQATWOQ-BNHKDCJOSA-N
SMILES O1[C@@](C=C)(CC[C@@H]2[C@@]1(CC[C@H]3[C@]2([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)CO)CCC3(C)C)C)C)C
Metabolite of Species Details
Phaeosphaeriaspecies L487 (NCBI:txid65784) See: PubMed
ChEBI Ontology
Outgoing Phaeoside (CHEBI:198647) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R,3R,4S,5R,6R)-2-[[(3R,4aS,6aR,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[]chromen-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
28282349 ChemSpider
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