CHEBI:2809 - Archangelolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Archangelolide
ChEBI ID CHEBI:2809
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H40O10
Net Charge 0
Average Mass 548.623
Monoisotopic Mass 548.26215
InChI InChI=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
InChIKey VIFTUZUHQDHAIL-RDSILWCTSA-N
SMILES CCC(C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC(=O)C(\C)=C/C)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12
ChEBI Ontology
Outgoing Archangelolide (CHEBI:2809) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Archangelolide KEGG COMPOUND
Manual Xrefs Databases
C00003214 KNApSAcK
C09296 KEGG COMPOUND
View more database links
Registry Number Type Source
41929-11-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014