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CHEBI:201864 - Pleosporallin D

ChEBI IDCHEBI:201864
ChEBI NamePleosporallin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@H](O)C(CO)=C[C@H]2O
InChIInChI=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
InChIKeyPTAHXVJYOLFJAH-USZQNJHSSA-N
ChEBI Ontology
Outgoing Relation(s)
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
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40256612ChemSpider