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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36505 - labdane
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ChEBI Ontology
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ChEBI Name
labdane
ChEBI ID
CHEBI:36505
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C20H38
Net Charge
0
Average Mass
278.524
Monoisotopic Mass
278.29735
InChI
InChI=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
InChIKey
LEWJAHURGICVRE-AISVETHESA-N
SMILES
C1CC[C@@]2([C@@H](CC[C@@H](CC)C)[C@H](CC[C@@]2([H])C1(C)C)C)C
ChEBI Ontology
Outgoing
labdane (
CHEBI:36505
)
is a
diterpene (
CHEBI:35190
)
labdane (
CHEBI:36505
)
is a
terpenoid fundamental parent (
CHEBI:35662
)
Incoming
(12
E
)-labda-8(17),12,14-triene (
CHEBI:138302
)
has parent hydride
labdane (
CHEBI:36505
)
(
Z
)-biformene (
CHEBI:64282
)
has parent hydride
labdane (
CHEBI:36505
)
syn
-labda-8(17),12
E
,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 Number
Type
Source
6774712
Beilstein Registry Number
Beilstein
Last Modified
03 December 2019