CHEBI:219013 - Sonomolide B

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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 Sonomolide B
ChEBI ID CHEBI:219013
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-5-12-6-7-14-13(11(12)2)10-16-20(23)18(14,3)9-8-15(21)19(20,4)17(22)24-16/h5-6,11,13-16,21,23H,1,7-10H2,2-4H3/t11-,13-,14-,15-,16+,18+,19+,20-/m0/s1
InChIKey HQKRCEBCNPNBKW-JTKBMLCESA-N
SMILES O=C1O[C@@H]2C[C@H]3[C@H](C(C=C)=CC[C@@H]3[C@@]4([C@@]2([C@@]1([C@@H](O)CC4)C)O)C)C
ChEBI Ontology
Outgoing Sonomolide B (CHEBI:219013) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1R,2S,6R,7S,9R,12S,13S,16S)-5-ethenyl-13,16-dihydroxy-1,6,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one
Manual Xref Database
409607 ChemSpider
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