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CHEBI:36505 - labdane

ChEBI IDCHEBI:36505
ChEBI Namelabdane
Stars
Last Modified3 December 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC20H38
Net Charge0
Average Mass278.524
Monoisotopic Mass278.29735
SMILES[H][C@@]12CC[C@H](C)[C@H](CC[C@H](C)CC)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H38/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h15-18H,7-14H2,1-6H3/t15-,16+,17+,18+,20-/m1/s1
InChIKeyLEWJAHURGICVRE-AISVETHESA-N
ChEBI Ontology
Outgoing Relation(s)
labdane (CHEBI:36505) is a diterpene (CHEBI:35190)
labdane (CHEBI:36505) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
(Z)-biformene (CHEBI:64282) has parent hydride labdane (CHEBI:36505)
(12E)-labda-8(17),12,14-triene (CHEBI:138302) has parent hydride labdane (CHEBI:36505)
syn-labda-8(17),12E,14-triene (CHEBI:63707) has parent hydride labdane (CHEBI:36505)
labda-7,13(16),14-triene (CHEBI:138301) has parent hydride labdane (CHEBI:36505)
labdane diterpenoid (CHEBI:36770) has parent hydride labdane (CHEBI:36505)
peregrinol (CHEBI:145550) has parent hydride labdane (CHEBI:36505)
sclarene (CHEBI:64281) has parent hydride labdane (CHEBI:36505)
IUPAC Name 
labdane
Registry NumbersSources
Beilstein:6774712Beilstein