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(Q83000070)
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English
Quinocarcin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
330.157957184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂N₂O₄
0 references
canonical SMILES
O=C(O)C1CC2N(C)C1C3N4C2OCC4C=5C(OC)=CC=CC5C3
0 references
isomeric SMILES
COc1cccc2c1[C@@H]1CO[C@@H]3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N13)N4C
0 references
found in taxon
Streptomyces melanovinaceus
3 references
stated in
DC-52, a novel antitumor antibiotic. 1. Taxonomy, fermentation and biological activity.
stated in
DC-52, a novel antitumor antibiotic. 2. Isolation, physico-chemical characteristics and structure determination
stated in
DC-52, a novel antitumor antibiotic. 2. Isolation, physico-chemical characteristics and structure determination
Identifiers
InChI
InChI=1S/C18H22N2O4/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22)/t10-,11+,12+,13+,16-,17-/m1/s1
0 references
InChIKey
VOUMVHRRAVBACH-RXCQEBQVSA-N
0 references
CAS Registry Number
84573-33-1
1 reference
InChIKey
VOUMVHRRAVBACH-RXCQEBQVSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=84573-33-1
PubChem CID
158486
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
218685
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H22N2O4/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22)/t10-,11+,12+,13+,16-,17-/m1/s1
UniChem compound ID
225762
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501004854
1 reference
matched by identifier from
InChIKey
InChIKey
VOUMVHRRAVBACH-RXCQEBQVSA-N
DSSTOX compound identifier
DTXCID301431746
0 references
Natural Product Atlas ID
NPA020123
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOUMVHRRAVBACH-RXCQEBQVSA-N
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