input word = C00041804

Metabolite InformationStructural formula
Name Rupestrin A
Formula C34H38O18
Mw 734.20581441
CAS RN 880360-46-3
C_ID C00041804 ,
InChIKey SRNQCBWVXAEHOG-OHKUGZJANA-N
InChICode InChI=1S/C34H38O18/c1-13(36)47-10-19-24(38)27(41)28(42)33(49-19)52-34(12-35)30-26(40)20(51-34)11-48-31(43)17-8-15-9-18(45-2)25(39)29(46-3)22(15)21(23(17)32(44)50-30)14-4-6-16(37)7-5-14/h4-9,19-21,23-24,26-28,30,33,35,37-42H,10-12H2,1-3H3/t19-,20-,21+,23+,24-,26-,27+,28-,30+,33-,34+/m1/s1
SMILES COc1cc2c(c(OC)c1O)[C@H](c1ccc(O)cc1)[C@H]1C(=O)O[C@H]3[C@H](O)[C@@H](COC(=O)C1=C2)O[C@@]3(CO)O[C@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeEritrichium rupestre Ref.
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