CHEBI:203695 - Hawaiinolide B

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 Hawaiinolide B
ChEBI ID CHEBI:203695
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26O4
Net Charge 0
Average Mass 330.424
Monoisotopic Mass 330.18311
InChI InChI=1S/C20H26O4/c1-5-12-6-7-14-13(11(12)2)10-15(21)20(23)18(14,3)9-8-16-19(20,4)17(22)24-16/h5-6,11,13-14,16,23H,1,7-10H2,2-4H3/t11-,13-,14-,16-,18+,19+,20-/m0/s1
InChIKey AFEUGPSCVTYZGI-WQNWOALFSA-N
SMILES O=C1[C@]2(O)[C@@]([C@H]3CC=C([C@@H]([C@@H]3C1)C)C=C)(CC[C@H]4[C@@]2(C(=O)O4)C)C
Metabolite of Species Details
Paracamarosporium hawaiiense (NCBI:txid502129) See: PubMed
ChEBI Ontology
Outgoing Hawaiinolide B (CHEBI:203695) is a β-lactone (CHEBI:49043)
IUPAC Name
(1R,2S,6R,7S,10S,11S,14S)-5-ethenyl-10-hydroxy-1,6,11-trimethyl-13-oxatetracyclo[8.6.0.02,7.011,14]hexadec-4-ene-9,12-dione
Manual Xref Database
34247852 ChemSpider
View more database links