CHEBI:225277 - Drophiobolin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Drophiobolin A
ChEBI ID CHEBI:225277
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O4
Net Charge 0
Average Mass 402.575
Monoisotopic Mass 402.27701
InChI InChI=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
InChIKey PQLLTQKWIQPVMI-JKSFWQDBSA-N
SMILES O=C1C=C(C)[C@@H]2[C@@H]1C(=CC[C@H]3[C@@](O)([C@H](CCCC(O)(C)C)C)CC[C@@]3(C2)C)C=O
Metabolite of Species Details
Bipolaris gigantea (NCBI:txid2695822) See: PubMed
ChEBI Ontology
Outgoing 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