CHEBI:188551 - curine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name curine
ChEBI ID CHEBI:188551
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H38N2O6
Net Charge 0
Average Mass 594.708
Monoisotopic Mass 594.27299
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1
InChIKey NGZXDRGWBULKFA-VSGBNLITSA-N
SMILES O1C2=C3[C@](N(CCC3=CC(OC)=C2O)C)(CC4=CC(OC=5C=C6[C@](N(CCC6=CC5OC)C)(CC7=CC=C1C=C7)[H])=C(O)C=C4)[H]
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing curine (CHEBI:188551) is a aromatic ether (CHEBI:35618)
IUPAC Name
(1R,16R)-10,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol
Manual Xref Database
222442 ChemSpider
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Registry Number Type Source
436-05-5 CAS Registry Number ChemIDplus