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CHEBI:228002 - (7S,9R,1'S,2'S,3'S,4'R,5'R)-andicoquinone C

ChEBI IDCHEBI:228002
ChEBI Name(7S,9R,1'S,2'S,3'S,4'R,5'R)-andicoquinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O10
Net Charge0
Average Mass514.527
Monoisotopic Mass514.18390
SMILESCO[C@@H]1[C@H](Oc2cccc3c2C(=O)c2c(cc4c(c2O)[C@@H](O)C[C@](C)(O)C4)C3=O)O[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C27H30O10/c1-11-23(32)27(3,34)24(35-4)25(36-11)37-16-7-5-6-13-18(16)22(31)19-14(20(13)29)8-12-9-26(2,33)10-15(28)17(12)21(19)30/h5-8,11,15,23-25,28,30,32-34H,9-10H2,1-4H3/t11-,15+,23-,24-,25+,26-,27+/m1/s1
InChIKeyZNCXPUUERPXIAK-OSILDJSESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.phytol.2019.01.031)
ChEBI Ontology
Outgoing Relation(s)
(7S,9R,1'S,2'S,3'S,4'R,5'R)-andicoquinone C (CHEBI:228002) is a quinone (CHEBI:36141)
(7S,9R,1'S,2'S,3'S,4'R,5'R)-andicoquinone C (CHEBI:228002) is a tetracenes (CHEBI:51270)
IUPAC Name 
(7S,9R)-4-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl]oxy-6,7,9-trihydroxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
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