Simulanoquinoline
group of stereoisomers with the chemical formula C₃₇H₃₄N₂O₇
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Simulanoquinoline
Summary
Simulanoquinoline is a group of stereoisomers[1].
Key Facts
- Simulanoquinoline's instance of is recorded as group of stereoisomers[2].
- Simulanoquinoline's CAS Registry Number is recorded as 155416-22-1[3].
- Simulanoquinoline's canonical SMILES is recorded as O=C1C=2C=CC(OC2C=3C=CC=C(OC)C3N1C)(C)CC4C=5C(OC)=C(OC)C=CC5C6=CC=C7C=C8OCOC8=CC7=C6N4C[4].
- Simulanoquinoline's InChI is recorded as InChI=1S/C37H34N2O7/c1-37(15-14-24-34(46-37)23-8-7-9-27(41-4)33(23)39(3)36(24)40)18-26-31-21(12-13-28(42-5)35(31)43-6)22-11-10-20-16-29-30(45-19-44-29)17-25(20)32(22)38(26)2/h7-17,26H,18-19H2,1-6H3[5].
- Simulanoquinoline's InChIKey is recorded as NUVWARFQHKLGOS-UHFFFAOYSA-N[6].
- Simulanoquinoline's chemical formula is recorded as C₃₇H₃₄N₂O₇[7].
- Simulanoquinoline's subclass of is recorded as benzo[c]phenanthridine alkaloid[8].
- Simulanoquinoline's PubChem CID is recorded as 5321314[9].
- Simulanoquinoline's ChEBI ID is recorded as 172774[10].
- Simulanoquinoline's found in taxon is recorded as Zanthoxylum simulans[11].
- Simulanoquinoline's Human Metabolome Database ID is recorded as HMDB0040379[12].
- Simulanoquinoline's KNApSAcK ID is recorded as C00052409[13].
- Simulanoquinoline's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+618.236601428'}[14].
- Simulanoquinoline's DSSTox substance ID is recorded as DTXSID201099642[15].
- Simulanoquinoline's UniChem compound ID is recorded as 67766[16].