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CHEBI:225277 - Drophiobolin A

ChEBI IDCHEBI:225277
ChEBI NameDrophiobolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O4
Net Charge0
Average Mass402.575
Monoisotopic Mass402.27701
SMILESCC1=CC(=O)[C@H]2C(C=O)=CC[C@@H]3[C@](C)(CC[C@]3(O)[C@@H](C)CCCC(C)(C)O)C[C@H]12
InChIInChI=1S/C25H38O4/c1-16-13-20(27)22-18(15-26)8-9-21-24(5,14-19(16)22)11-12-25(21,29)17(2)7-6-10-23(3,4)28/h8,13,15,17,19,21-22,28-29H,6-7,9-12,14H2,1-5H3/t17-,19+,21+,22-,24+,25-/m0/s1
InChIKeyPQLLTQKWIQPVMI-JKSFWQDBSA-N
Species of MetaboliteComponentSourceComments
Bipolaris gigantea (ncbitaxon:2695822) - PubMed (33074690)
ChEBI Ontology
Outgoing Relation(s)
Drophiobolin A (CHEBI:225277) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1R,3S,7R,11R,12S)-12-hydroxy-12-[(2S)-6-hydroxy-6-methylheptan-2-yl]-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde