CHEBI:188805 - Cruentaren A

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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 Cruentaren A
ChEBI ID CHEBI:188805
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H51NO8
Net Charge 0
Average Mass 589.770
Monoisotopic Mass 589.36147
InChI InChI=1S/C33H51NO8/c1-7-12-26(35)22(4)32(39)34-16-11-10-14-21(3)31(38)23(5)29-15-9-8-13-20(2)27(36)18-24-17-25(41-6)19-28(37)30(24)33(40)42-29/h8-11,17,19-23,26-27,29,31,35-38H,7,12-16,18H2,1-6H3,(H,34,39)/b9-8-,11-10-
InChIKey UXPPKIOUXFFKDI-XESWYYRISA-N
SMILES O1C(C(C(O)C(C/C=C\CNC(=O)C(C(O)CCC)C)C)C)CC=CCC(C(O)CC2=C(C1=O)C(O)=CC(OC)=C2)C
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 Cruentaren A (CHEBI:188805) is a macrolide (CHEBI:25106)
IUPAC Name
N-[(Z)-7-[(6Z)-10,16-dihydroxy-14-methoxy-9-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),6,13,15-tetraen-4-yl]-6-hydroxy-5-methyloct-2-enyl]-3-hydroxy-2-methylhexanamide
Manual Xref Database
17250057 ChemSpider
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