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CHEBI:2809 - Archangelolide

ChEBI IDCHEBI:2809
ChEBI NameArchangelolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H40O10
Net Charge0
Average Mass548.629
Monoisotopic Mass548.26215
SMILES[H][C@@]12OC(=O)[C@@](C)(OC(C)=O)[C@]1([H])[C@@H](OC(=O)C(C)CC)C[C@](C)(OC(C)=O)[C@@]1([H])[C@H](OC(=O)/C(C)=C\C)C=C(C)[C@@]21[H]
InChIInChI=1S/C29H40O10/c1-10-14(3)25(32)35-19-12-16(5)21-22(19)28(8,38-17(6)30)13-20(36-26(33)15(4)11-2)23-24(21)37-27(34)29(23,9)39-18(7)31/h10,12,15,19-24H,11,13H2,1-9H3/b14-10-/t15?,19-,20+,21-,22+,23-,24+,28+,29+/m1/s1
InChIKeyVIFTUZUHQDHAIL-RDSILWCTSA-N
ChEBI Ontology
Outgoing Relation(s)
Archangelolide (CHEBI:2809) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
ArchangelolideKEGG COMPOUND
Manual XrefsDatabases
C09296KEGG COMPOUND
C00003214KNApSAcK
Registry NumbersSources
CAS:41929-11-7KEGG COMPOUND