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(Q104923430)
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English
CID 12311390
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Retrorsin
1 reference
based on heuristic
inferred from SMILES
12,18-Dihydroxysenecionan-11,16-dione
1 reference
based on heuristic
inferred from SMILES
mass
351.16818752
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
LSM-2938
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
retrorsine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4E,6S,7R,17S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
gibberellin GA58
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,6R,7S,17S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4E,6S,7R,17S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
1 reference
based on heuristic
inferred from InChI
Usaramine
1 reference
based on heuristic
inferred from InChI
(1R,4Z,6S,7R,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₅NO₆
0 references
canonical SMILES
O=C1OC2CCN3CC=C(COC(=O)C(O)(CO)C(C)CC1=CC)C32
0 references
isomeric SMILES
C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
0 references
found in taxon
Senecio flaccidus var. flaccidus
1 reference
stated in
Pyrrolizidine alkaloids from Senecio longilobus and Senecio glabellus
Identifiers
InChI
InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+/m0/s1
0 references
InChIKey
BCJMNZRQJAVDLD-VMOBWIEOSA-N
0 references
PubChem CID
12311390
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BCJMNZRQJAVDLD-VMOBWIEOSA-N
UniChem compound ID
12179998
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_NPDepo-CB000043
1 reference
InChIKey
BCJMNZRQJAVDLD-VMOBWIEOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01293
1 reference
InChIKey
BCJMNZRQJAVDLD-VMOBWIEOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01294
1 reference
InChIKey
BCJMNZRQJAVDLD-VMOBWIEOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01295
1 reference
InChIKey
BCJMNZRQJAVDLD-VMOBWIEOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA01296
1 reference
InChIKey
BCJMNZRQJAVDLD-VMOBWIEOSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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