input word = C00005650

Metabolite InformationStructural formula
Name Patuletin 3-glucosyl-(1->6)[apiosyl-(1->2)-glucoside]
Formula C33H40O22
Mw 788.20112297
CAS RN 101021-30-1
C_ID C00005650 ,
InChIKey IQBTXBIIGNASBG-CVMNFVOJNA-N
InChICode InChI=1S/C33H40O22/c1-48-26-13(38)5-14-17(20(26)41)21(42)27(25(51-14)10-2-3-11(36)12(37)4-10)54-31-28(55-32-29(46)33(47,8-35)9-50-32)23(44)19(40)16(53-31)7-49-30-24(45)22(43)18(39)15(6-34)52-30/h2-5,15-16,18-19,22-24,28-32,34-41,43-47H,6-9H2,1H3/t15-,16-,18+,19+,22+,23+,24-,28+,29-,30-,31+,32+,33+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@H]([C@](CO1)(O)CO)O)c1ccc(c(c1)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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