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(Q104396974)
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English
Ishwarol
group of isomeric compounds
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Statements
instance of
group of stereoisomers
0 references
subclass of
ishwaranes
1 reference
inferred from
ishwaranes
mass
220.182715388
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₄O
0 references
canonical SMILES
OC1CCC(C)C2(C)CC3C4CC12CC34C
0 references
isomeric SMILES
C[C@@H]1CCC(O)C23CC4C(C[C@@]12C)C4(C)C3
0 references
found in taxon
Piper amalago
1 reference
stated in
Ishwarol, the main Sesquiterpene in Piper amalago
Identifiers
InChI
InChI=1S/C15H24O/c1-9-4-5-12(16)15-7-11-10(6-14(9,15)3)13(11,2)8-15/h9-12,16H,4-8H2,1-3H3/t9-,10?,11?,12?,13?,14+,15?/m1/s1
0 references
InChIKey
VMCKVEZJNIGBQQ-DTZPQEEQSA-N
0 references
PubChem CID
42608203
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
VMCKVEZJNIGBQQ-DTZPQEEQSA-N
ChEBI ID
195994
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H24O/c1-9-4-5-12(16)15-7-11-10(6-14(9,15)3)13(11,2)8-15/h9-12,16H,4-8H2,1-3H3/t9-,10?,11?,12?,13?,14+,15?/m1/s1
UniChem compound ID
53672310
1 reference
stated in
UniChem
LIPID MAPS ID
LMPR0103840001
1 reference
InChIKey
VMCKVEZJNIGBQQ-DTZPQEEQSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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