input word = C00010996

Metabolite InformationStructural formula
Name Picrocrocinic acid
Formula C16H26O8
Mw 346.16276781
CAS RN 62218-53-5
C_ID C00010996 ,
InChIKey LBTAFDHXNSPZSZ-PMGQHUOANA-N
InChICode InChI=1S/C16H26O8/c1-7-4-8(5-16(2,3)10(7)14(21)22)23-15-13(20)12(19)11(18)9(6-17)24-15/h8-9,11-13,15,17-20H,4-6H2,1-3H3,(H,21,22)/t8-,9-,11-,12+,13-,15-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1CC(=C(C(C1)(C)C)C(=O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia jasminoides Ref.
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OrganismGardenia jasminoides
ReferenceTakeda,Chem.Pharm.Bull.,24,(1976),2644