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(Q83059770)
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Otobanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-(2H-1,3-benzodioxol-5-yl)-7,8-dimethyl-2H,7H,8H,9H-naphtho[1,2-d][1,3]dioxol-6-one
1 reference
based on heuristic
inferred from SMILES
mass
338.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Isootobanone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₁₈O₅
0 references
canonical SMILES
O=C1C2=CC=C3OCOC3=C2C(C4=CC=C5OCOC5=C4)C(C)C1C
0 references
isomeric SMILES
C[C@H]1[C@@H](C(=O)C2=C([C@@H]1C3=CC4=C(C=C3)OCO4)C5=C(C=C2)OCO5)C
0 references
found in taxon
Myristica cagayanensis
1 reference
stated in
Three new lignans from the nutmeg of Myristica cagayanesis.
Virola elongata
1 reference
stated in
Lignoids and arylalkanones from fruits of Virola elongata
Chamaecyparis obtusa
1 reference
stated in
Three novel and one new lignan, chamaecypanones A, B, obtulignolide and isootobanone from the heartwood of Chamaecyparis obtusa var. formosana
Identifiers
InChI
InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11-,17-/m0/s1
0 references
InChIKey
ZTOORMQTJNUZOQ-DINDLPBHSA-N
0 references
CAS Registry Number
34426-79-4
0 references
PubChem CID
3084590
1 reference
matched by identifier from
InChIKey
InChIKey
ZTOORMQTJNUZOQ-DINDLPBHSA-N
ChEBI ID
191826
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H18O5/c1-10-11(2)19(21)13-4-6-15-20(25-9-23-15)18(13)17(10)12-3-5-14-16(7-12)24-8-22-14/h3-7,10-11,17H,8-9H2,1-2H3/t10-,11-,17-/m0/s1
UniChem compound ID
45542788
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50188004
1 reference
matched by identifier from
InChIKey
InChIKey
ZTOORMQTJNUZOQ-DINDLPBHSA-N
DSSTOX compound identifier
DTXCID40110495
0 references
UNII
VZU5TKC74T
1 reference
matched by identifier from
InChIKey
InChIKey
ZTOORMQTJNUZOQ-DINDLPBHSA-N
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