CHEBI:132825 - aristoloterpenate-I

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ChEBI Name aristoloterpenate-I
ChEBI ID CHEBI:132825
Definition A sesquiterpenoid obtained by formal condensation of the carboxy group of aristolochic acid with the hydroxy group of (1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C32H31NO8
Net Charge 0
Average Mass 557.592
Monoisotopic Mass 557.20497
InChI InChI=1S/C32H31NO8/c1-19-7-4-9-20(2)13-22(14-21(17-34)10-5-8-19)41-32(35)25-16-28-31(40-18-39-28)30-23-11-6-12-27(38-3)24(23)15-26(29(25)30)33(36)37/h6,8-9,11-12,14-17,22H,4-5,7,10,13,18H2,1-3H3/b19-8+,20-9+,21-14-/t22-/m1/s1
InChIKey CNCKKGCRDGSHDH-PTDIUHGLSA-N
SMILES [N+]([O-])(=O)C1=C2C(=C3C(=C1)C(OC)=CC=C3)C=4OCOC4C=C2C(O[C@@H]5CC(=CCCC(=CCCC(=C5)C([H])=O)C)C)=O
Metabolite of Species Details
Aristolochia mollissima (NCBI:txid158558) Found in amniotic fluid (BTO:0000068). See: Acta pharmaceutica Sinica (1996), 31, 446-450
Aristolochia heterophylla (NCBI:txid431268) Found in root (BTO:0001188). See: PubMed
Aristolochia heterophylla (NCBI:txid431268) Found in stem (BTO:0001300). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing aristoloterpenate-I (CHEBI:132825) has functional parent aristolochic acid A (CHEBI:2825)
aristoloterpenate-I (CHEBI:132825) has role plant metabolite (CHEBI:76924)
aristoloterpenate-I (CHEBI:132825) is a C-nitro compound (CHEBI:35716)
aristoloterpenate-I (CHEBI:132825) is a aromatic ester (CHEBI:62732)
aristoloterpenate-I (CHEBI:132825) is a aromatic ether (CHEBI:35618)
aristoloterpenate-I (CHEBI:132825) is a cyclic acetal (CHEBI:59770)
aristoloterpenate-I (CHEBI:132825) is a enal (CHEBI:51688)
aristoloterpenate-I (CHEBI:132825) is a macrocycle (CHEBI:51026)
aristoloterpenate-I (CHEBI:132825) is a organic heterotetracyclic compound (CHEBI:38163)
aristoloterpenate-I (CHEBI:132825) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
Synonyms Sources
(-)-Aristoloterpenate I KNApSAcK
Aristoloterpenate I KNApSAcK
Manual Xref Database
C00027291 KNApSAcK
View more database links
Registry Numbers Types Sources
184955-22-4 CAS Registry Number KNApSAcK
8744291 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10096848 PubMed citation Europe PMC
296602 Chinese Abstracts citation Europe PMC
Last Modified
24 January 2017