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(Q74411167)
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English
12-epi-fischerindole U
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isocyanide
0 references
Fischerindoles
1 reference
based on heuristic
inferred from SMILES
mass
304.193948768
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄N₂
0 references
canonical SMILES
[C-]#[N+]C1C2C=3C=4C=CC=CC4NC3C(C)(C)C2CCC1(C=C)C
0 references
isomeric SMILES
[C-]#[N+][C@@H]1[C@@H]2c3c([nH]c4ccccc34)C(C)(C)[C@H]2CC[C@@]1(C)C=C
0 references
found in taxon
Hapalosiphon welwitschii
2 references
stated in
Fontonamide and anhydrohapaloxindole A, two new alkaloids from the blue-green alga Hapalosiphon fontinalis
stated in
Welwitindolinones, Unusual Alkaloids from the Blue-Green Algae Hapalosiphon welwitschii and Westiella intricata. Relationship to Fischerindoles and Hapalinodoles
Identifiers
InChI
InChI=1S/C21H24N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h6-10,14,17,19,23H,1,11-12H2,2-4H3/t14-,17-,19+,21+/m0/s1
0 references
InChIKey
NEYJIGPAQAKWSI-QBGRRASTSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
101677547
1 reference
matched by identifier from
InChIKey
InChIKey
NEYJIGPAQAKWSI-QBGRRASTSA-N
Reaxys registry number
7144608
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
140442
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h6-10,14,17,19,23H,1,11-12H2,2-4H3/t14-,17-,19+,21+/m0/s1
UniChem compound ID
97077660
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901046737
1 reference
matched by identifier from
InChIKey
InChIKey
NEYJIGPAQAKWSI-QBGRRASTSA-N
Natural Product Atlas ID
NPA008787
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NEYJIGPAQAKWSI-QBGRRASTSA-N
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