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(Q82123117)
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English
AC1LCS8N
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1(10)-Aromadendren-9-one
1 reference
based on heuristic
inferred from SMILES
mass
218.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1aS,7R,7aS,7bR)-1,1,4,7-tetramethyl-2,5,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Millecrone B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O
0 references
canonical SMILES
O=C1C(=C2CCC(C)C2C3C(C1)C3(C)C)C
0 references
isomeric SMILES
CC1=C2CC[C@@H](C)[C@H]2[C@H]2[C@@H](CC1=O)C2(C)C
0 references
found in taxon
Acorus calamus
1 reference
stated in
Identification of an EcoRI restriction site for a rapid and precise determination of beta-asarone-free Acorus calamus cytotypes
Curvularia lunata
1 reference
stated in
Biotransformation of squamulosone by Curvularia lunata ATCC 12017
Phebalium squamulosum
1 reference
stated in
The structure of squamulosone, a new sesquiterpene ketone from Phebalium squamulosum
Identifiers
InChI
InChI=1S/C15H22O/c1-8-5-6-10-9(2)12(16)7-11-14(13(8)10)15(11,3)4/h8,11,13-14H,5-7H2,1-4H3/t8-,11-,13-,14-/m1/s1
0 references
InChIKey
FUIPJCVSKAWFTI-KLPZLMTLSA-N
0 references
CAS Registry Number
34413-94-0
0 references
PubChem CID
636442
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FUIPJCVSKAWFTI-KLPZLMTLSA-N
UniChem compound ID
57891883
1 reference
stated in
UniChem
NMRShiftDB structure ID
2197
1 reference
matched by identifier from
InChIKey
InChIKey
FUIPJCVSKAWFTI-KLPZLMTLSA-N
DSSTox substance ID
DTXSID90348367
1 reference
matched by identifier from
InChIKey
InChIKey
FUIPJCVSKAWFTI-KLPZLMTLSA-N
DSSTOX compound identifier
DTXCID20299439
0 references
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