CHEBI:228999 - 3,4-Dihydroxydihydgaroaroiuran

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 3,4-Dihydroxydihydgaroaroiuran
ChEBI ID CHEBI:228999
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H28O2
Net Charge 0
Average Mass 252.398
Monoisotopic Mass 252.20893
InChI InChI=1S/C16H28O2/c1-13(2)10-16-9-11(13)5-7-14(16,3)8-6-12(17)15(16,4)18/h11-12,17-18H,5-10H2,1-4H3/t11-,12-,14?,15+,16?/m0/s1
InChIKey CQQWRHPPLMCGOK-POIRJBCUSA-N
SMILES O[C@]1(C23C(CC[C@@](C2)(C(C3)(C)C)[H])(CC[C@@H]1O)C)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4-Dihydroxydihydgaroaroiuran (CHEBI:228999) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2S,3S,9S)-2,6,10,10-tetramethyltricyclo[7.2.1.01,6]dodecane-2,3-diol
Manual Xref Database
4475740 ChemSpider
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