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CHEBI:224241 - Phomanolide C

ChEBI IDCHEBI:224241
ChEBI NamePhomanolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O8
Net Charge0
Average Mass552.664
Monoisotopic Mass552.27232
SMILESCC1=CC(=O)O[C@@]23CC(=O)O[C@@]12C[C@H]1C[C@H](O)[C@@]2(C)Oc4cc(O)cc(C)c4C[C@H]2CC(C)(C)/C=C/C[C@]1(C)O3
InChIInChI=1S/C32H40O8/c1-18-10-22(33)14-24-23(18)12-21-15-28(3,4)8-7-9-29(5)20(13-25(34)30(21,6)37-24)16-31-19(2)11-26(35)39-32(31,40-29)17-27(36)38-31/h7-8,10-11,14,20-21,25,33-34H,9,12-13,15-17H2,1-6H3/b8-7+/t20-,21+,25+,29+,30+,31+,32-/m1/s1
InChIKeyYSGFLTBUANOFHK-SYJZOXLASA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (31120749)
ChEBI Ontology
Outgoing Relation(s)
Phomanolide C (CHEBI:224241) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1S,3R,5S,6S,15R,18E,21S,23S)-5,10-dihydroxy-6,12,17,17,21,27-hexamethyl-7,22,24,28-tetraoxahexacyclo[21.4.3.01,23.03,21.06,15.08,13]triaconta-8(13),9,11,18,26-pentaene-25,29-dione