CHEBI:175952 - Artenolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Artenolide
ChEBI ID CHEBI:175952
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40O8
Net Charge 0
Average Mass 528.642
Monoisotopic Mass 528.27232
InChI InChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3/t13-,14-,15+,17?,18?,20?,22-,23-,26?,27?,28-,29?,30?/m0/s1
InChIKey INWDFSUZZFAFBJ-HXCFRXSLSA-N
SMILES O1[C@]2([C@](C3(C4CC(C3)(C5=C4[C@@](O)(CC[C@@]6([C@@]5(OC(=O)[C@H]6C)[H])[H])C)C)C1=O)(CCC(O)(C=7C2C(O)(C(O)C7)C)C)[H])[H]
ChEBI Ontology
Outgoing Artenolide (CHEBI:175952) is a γ-lactone (CHEBI:37581)
IUPAC Name
(3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethylspiro[3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]uran-3,13'-4-oxatetracyclo[10.2.1.02,11.03,7]pentadec-2(11)-ene]-2,5'-dione
Manual Xrefs Databases
35014435 ChemSpider
HMDB0037565 HMDB
View more database links