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(Q76304928)
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(E)-Herclavine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
phenethylamine alkaloid
0 references
cinnamoylamide alkaloid
0 references
mass
295.157228912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₁NO₂
0 references
canonical SMILES
O=C(C=CC=1C=CC=CC1)N(C)CCC2=CC=C(OC)C=C2
0 references
isomeric SMILES
CN(CCC1=CC=C(C=C1)OC)C(=O)/C=C/C2=CC=CC=C2
0 references
found in taxon
Zanthoxylum spinosum
2 references
stated in
Benzophenanthridine alkaloids from the stem bark of a Zanthoxylum species
stated in
Benzophenanthridine alkaloids from the stem bark of a Zanthoxylum species
Identifiers
InChI
InChI=1S/C19H21NO2/c1-20(15-14-17-8-11-18(22-2)12-9-17)19(21)13-10-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-10+
0 references
InChIKey
VANLAWLPWTVXIB-JLHYYAGUSA-N
0 references
CAS Registry Number
539-18-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5356194
0 references
ChEBI ID
174123
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H21NO2/c1-20(15-14-17-8-11-18(22-2)12-9-17)19(21)13-10-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-10+
UniChem compound ID
31995547
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030242
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VANLAWLPWTVXIB-JLHYYAGUSA-N
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