CHEBI:201864 - Pleosporallin 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 Pleosporallin D
ChEBI ID CHEBI:201864
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h5,9,14-15,17-19,23,25-26H,6-8,10-11H2,1-4H3/t14-,15-,17+,18+,19+,21+,22-/m0/s1
InChIKey PTAHXVJYOLFJAH-USZQNJHSSA-N
SMILES O=C1C([C@H]2[C@]([C@H](C(C)=CC2)C[C@@]34O[C@@H]3[C@H](O)C(=C[C@H]4O)CO)(C)CC1)(C)C
ChEBI Ontology
Outgoing Pleosporallin D (CHEBI:201864) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(4aR,5S,8aR)-5-[[(1S,2R,5R,6R)-2,5-dihydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-1-yl]methyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one
Manual Xref Database
40256612 ChemSpider
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