input word = C00052566

Metabolite InformationStructural formula
Name 1-Acetonyl-7-carboxyl-6,8-dihydroxy-3,4,5-trimethylisochroman
Formula C16H20O6
Mw 308.12598837
CAS RN 1592441-13-8
C_ID C00052566
InChIKey PKONROABJCPGSC-SZEHBUNVSA-N
InChICode InChI=1S/C16H20O6/c1-6(17)5-10-12-11(7(2)9(4)22-10)8(3)14(18)13(15(12)19)16(20)21/h7,9-10,18-19H,5H2,1-4H3,(H,20,21)/t7-,9-,10-/m1/s1
SMILES CC(=O)C[C@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c(C(=O)O)c(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeCylindrocarpon sp. SC 0537 Ref.
FungiTrichocomaceaePenicillium citrinum PSU-F51 Ref.
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OrganismPenicillium citrinum PSU-F51
ReferenceGao, J-M. et al., Chem. Rev., 113, (2013), 4755-4811.