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(Q110170997)
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English
(2'R)-stachyline B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
stachyline B
1 reference
based on heuristic
inferred from SMILES
mass
236.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Stachyline B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆O₄
0 references
canonical SMILES
O=C(O)CC1=CC=C(OCC(O)C(=C)C)C=C1
0 references
isomeric SMILES
C=C(C)[C@@H](O)COc1ccc(CC(=O)O)cc1
0 references
found in taxon
Penicillium chrysogenum
1 reference
stated in
Cytotoxic Secondary Metabolites Isolated from the Marine Alga-Associated Fungus Penicillium chrysogenum LD-201810
Identifiers
InChI
InChI=1S/C13H16O4/c1-9(2)12(14)8-17-11-5-3-10(4-6-11)7-13(15)16/h3-6,12,14H,1,7-8H2,2H3,(H,15,16)/t12-/m0/s1
0 references
InChIKey
NTVKQXXUTNSBBQ-LBPRGKRZSA-N
0 references
PubChem CID
93061347
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NTVKQXXUTNSBBQ-LBPRGKRZSA-N
ChEBI ID
210079
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16O4/c1-9(2)12(14)8-17-11-5-3-10(4-6-11)7-13(15)16/h3-6,12,14H,1,7-8H2,2H3,(H,15,16)/t12-/m0/s1
Natural Product Atlas ID
NPA030963
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NTVKQXXUTNSBBQ-LBPRGKRZSA-N
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