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(Q105140603)
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English
methyl (1aS,7aR)-7a-(3-methylbut-2-enyl)-2,7-dioxonaphtho[2,3-b]oxirene-1a-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Methoxycarbonyl-3-(3-methyl-2-butenyl)-2,3-epoxy-1,4-naphthoquinone
1 reference
based on heuristic
inferred from SMILES
mass
300.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₆O₅
0 references
canonical SMILES
O=C(OC)C12OC2(C(=O)C=3C=CC=CC3C1=O)CC=C(C)C
0 references
isomeric SMILES
COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O
0 references
found in taxon
Dolichopentas longiflora
1 reference
stated in
New pyranonaphthoquinone and pyranonaphthohydroquinone from the roots of Pentas longiflora
Rubia cordifolia
2 references
stated in
Anthraquinones, naphthohydroquinones and naphthohydroquinone dimers from Rubia cordifolia and their cytotoxic activity
stated in
Anthraquinones, naphthoquinones and naphthohydroquinones from Rubia oncotricha
Rubia oncotricha
1 reference
stated in
Anthraquinones, naphthoquinones and naphthohydroquinones from Rubia oncotricha
Identifiers
InChI
InChI=1S/C17H16O5/c1-10(2)8-9-16-13(18)11-6-4-5-7-12(11)14(19)17(16,22-16)15(20)21-3/h4-8H,9H2,1-3H3/t16-,17-/m0/s1
0 references
InChIKey
KFXPBEAXNBSFIQ-IRXDYDNUSA-N
0 references
PubChem CID
163044063
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KFXPBEAXNBSFIQ-IRXDYDNUSA-N
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