CHEBI:220044 - Davotremulane A

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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 Davotremulane A
ChEBI ID CHEBI:220044
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O5
Net Charge 0
Average Mass 284.352
Monoisotopic Mass 284.16237
InChI InChI=1S/C15H24O5/c1-8-10-4-15(2,7-17)5-11(10)12(6-16)9(14(19)20)3-13(8)18/h8-10,13,16-18H,3-7H2,1-2H3,(H,19,20)/t8-,9+,10-,13-,15+/m1/s1
InChIKey ZYNJFACURHYFIC-PGZHFOILSA-N
SMILES O=C(O)[C@@H]1C(=C2[C@H](C[C@@](C2)(CO)C)[C@H]([C@@H](C1)O)C)CO
ChEBI Ontology
Outgoing Davotremulane A (CHEBI:220044) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2S,5S,7R,8R,8aR)-7-hydroxy-2,4-bis(hydroxymethyl)-2,8-dimethyl-3,5,6,7,8,8a-hexahydro-1H-azulene-5-carboxylic acid
Manual Xref Database
78439540 ChemSpider
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