CHEBI:200875 - Malettinin 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 Malettinin B
ChEBI ID CHEBI:200875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O5
Net Charge 0
Average Mass 292.331
Monoisotopic Mass 292.13107
InChI InChI=1S/C16H20O5/c1-8-4-12(17)13(18)6-14-11(8)5-10(3)16(21-14)15(19)9(2)7-20-16/h4,6,9-10,15,19H,5,7H2,1-3H3,(H,17,18)/t9-,10-,15-,16+/m1/s1
InChIKey PLRNIDHEWWILCN-HKBFDHSMSA-N
SMILES O=C1C(O)=CC(C)=C2C(=C1)O[C@@]3(OC[C@H]([C@H]3O)C)[C@H](C)C2
ChEBI Ontology
Outgoing Malettinin B (CHEBI:200875) is a cyclic ketone (CHEBI:3992)
IUPAC Name
(2S,3R,3'R,4'R)-3',7-dihydroxy-3,4',5-trimethylspiro[3,4-dihydrocyclohepta[b]pyran-2,2'-oxolane]-8-one
Manual Xref Database
9498742 ChemSpider
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