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(Q105134131)
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English
Marckine
group of stereoisomers with the chemical formula C₂₉H₃₇N₃O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
beta-carboline alkaloid
1 reference
inferred from
beta-carboline alkaloid
mass
475.283492044
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₇N₃O₃
0 references
canonical SMILES
OC=1C=CC=2NC3=C(C2C1)CCNC3CC4CC5C6=CC(OC)=C(OC)C=C6CCN5CC4CC
0 references
found in taxon
Pogonopus tubulosus
1 reference
stated in
Tubulosine: an antitumor constituent of Pogonopus speciosus
Identifiers
InChI
InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3
0 references
InChIKey
JRVWIILYWSBUMC-UHFFFAOYSA-N
0 references
PubChem CID
604599
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JRVWIILYWSBUMC-UHFFFAOYSA-N
ChEBI ID
189396
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3
UniChem compound ID
304986
1 reference
stated in
UniChem
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