CHEBI:182483 - 4-(hydroxymethyl)-1-[[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

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ChEBI Name 4-(hydroxymethyl)-1-[[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
ChEBI ID CHEBI:182483
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H34O5
Net Charge 0
Average Mass 378.509
Monoisotopic Mass 378.24062
InChI InChI=1S/C22H34O5/c1-13-5-6-16-20(2,12-24)7-4-8-21(16,3)15(13)10-22-17(25)9-14(11-23)18(26)19(22)27-22/h5,9,15-19,23-26H,4,6-8,10-12H2,1-3H3
InChIKey ADIALAZTBGIRSN-UHFFFAOYSA-N
SMILES O1C2(CC3C4(C(C(CCC4)(CO)C)CC=C3C)C)C1C(O)C(=CC2O)CO
ChEBI Ontology
Outgoing 4-(hydroxymethyl)-1-[[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol (CHEBI:182483) is a secondary alcohol (CHEBI:35681)
IUPAC Name
4-(hydroxymethyl)-1-[[5-(hydroxymethyl)-2,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
Manual Xref Database
23550468 ChemSpider
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