Chemical Component Summary

Namecladosporin
Synonyms(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
Identifiers(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
FormulaC16 H20 O5
Molecular Weight292.327
TypeNON-POLYMER
Isomeric SMILESC[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O
InChIInChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1
InChIKeyWOMKDMUZNBFXKG-ZWKOPEQDSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count3
Bond Count43
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 13990016
ChEMBL CHEMBL448685
CCDC/CSD XIMCON, XIMCON01, IFODOZ, CETQOH
COD 1553258, 4027277