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CHEBI:69630 - 3β,7β-dihydroxy-22(29)-hopene

ChEBI IDCHEBI:69630
ChEBI Name3β,7β-dihydroxy-22(29)-hopene
Stars
ASCII Name3beta,7beta-dihydroxy-22(29)-hopene
DefinitionA hopanoid that is hop-22(29)-ene substituted by β-hydroxy groups at positions 3 and 7. It has been isolated from Hypocrella species.
Last Modified26 May 2015
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])C[C@H](O)[C@@]3(C)[C@]1(C)CC[C@@]1([H])[C@@H](C(=C)C)CC[C@]21C
InChIInChI=1S/C30H50O2/c1-18(2)19-11-14-27(5)20(19)12-16-29(7)21(27)9-10-22-28(6)15-13-24(31)26(3,4)23(28)17-25(32)30(22,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23+,24+,25+,27+,28-,29-,30+/m1/s1
InChIKeyWJRKSWSWERNJOC-HXLHWMEPSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) mycelium (BTO:0001436) PubMed (21995505) The fungus was isolated form scale insect Strain: BCC 14524
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
3β,7β-dihydroxy-22(29)-hopene (CHEBI:69630) has role fungal metabolite (CHEBI:76946)
3β,7β-dihydroxy-22(29)-hopene (CHEBI:69630) is a diol (CHEBI:23824)
3β,7β-dihydroxy-22(29)-hopene (CHEBI:69630) is a hopanoid (CHEBI:51963)
3β,7β-dihydroxy-22(29)-hopene (CHEBI:69630) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
(3β,7β)-hop-22(29)-ene-3,7-diol
Registry NumbersSources
Reaxys:21969319Reaxys
Citations