CHEBI:215061 - Javanicol D

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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 Javanicol D
ChEBI ID CHEBI:215061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O6
Net Charge 0
Average Mass 308.330
Monoisotopic Mass 308.12599
InChI InChI=1S/C16H20O6/c1-3-4-8-6-16(21)11(7(2)22-15(16)12(8)18)9-5-10(17)14(20)13(9)19/h3-7,11-15,18-21H,1-2H3/b4-3+/t7-,11+,12+,13+,14+,15-,16+/m1/s1
InChIKey LUIKGTDTYXLMKO-JWRYTAAHSA-N
SMILES O=C1C=C([C@H]2[C@@]3(O)C=C(/C=C/C)[C@@H]([C@H]3O[C@@H]2C)O)[C@@H]([C@H]1O)O
Metabolite of Species Details
Penicillium javanicum (NCBI:txid28578) See: PubMed
ChEBI Ontology
Outgoing Javanicol D (CHEBI:215061) is a oxolanes (CHEBI:26912)
IUPAC Name
(4S,5R)-3-[(2R,3R,3aS,6S,6aR)-3a,6-dihydroxy-2-methyl-5-[(E)-prop-1-enyl]-2,3,6,6a-tetrahydrocyclopenta[b]uran-3-yl]-4,5-dihydroxycyclopent-2-en-1-one