CHEBI:188634 - (+)-Rubriflordilactone 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 (+)-Rubriflordilactone A
ChEBI ID CHEBI:188634
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O6
Net Charge 0
Average Mass 464.558
Monoisotopic Mass 464.21989
InChI InChI=1S/C28H32O6/c1-13-9-20(32-26(13)30)25-14(2)16-5-6-18-17-7-8-21-27(3,4)33-22-11-23(29)34-28(21,22)12-15(17)10-19(31-25)24(16)18/h9-10,14,16,20-22,25H,5-8,11-12H2,1-4H3/t14-,16+,20-,21-,22+,25-,28+/m0/s1
InChIKey QFKYMFWLPPOWOB-MPHJNTCLSA-N
SMILES O1[C@]2([C@]3(OC(=O)C2)[C@](C1(C)C)(CCC=4C(C3)=CC=5O[C@@]([C@H]([C@@]6(C5C4CC6)[H])C)([C@]7(OC(=O)C(=C7)C)[H])[H])[H])[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 (+)-Rubriflordilactone A (CHEBI:188634) is a 1-benzopyran (CHEBI:38443)
IUPAC Name
(5S,8R,12R,18S,19S,20R)-6,6,19-trimethyl-18-[(2S)-4-methyl-5-oxo-2H-uran-2-yl]-7,11,17-trioxahexacyclo[14.6.1.02,14.05,12.08,12.020,23]tricosa-1,14,16(23)-trien-10-one
Manual Xref Database
20162831 ChemSpider
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