input word = C00057349

Metabolite InformationStructural formula
Name Sanguisorbin E
Formula C43H68O13
Mw 792.46599226
CAS RN 33055-20-8
C_ID C00057349
InChIKey SWZMTTVYUGMJST-REBHWVKHSA-N
InChICode InChI=1S/C43H68O13/c1-21-11-16-43(38(51)56-37-34(50)35(53-23(3)45)32(48)26(19-44)54-37)18-17-41(7)24(30(43)22(21)2)9-10-28-40(6)14-13-29(39(4,5)27(40)12-15-42(28,41)8)55-36-33(49)31(47)25(46)20-52-36/h9,21-22,25-37,44,46-50H,10-20H2,1-8H3/t21-,22+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37+,40+,41-,42-,43+/m1/s1
SMILES CC(C(C12)C)CCC2(C(OC3C(O)C(OC(C)=O)C(O)C(O3)CO)=O)CCC4(C1=CCC5C6(CCC(OC7C(O)C(O)C(O)CO7)C(C)(C6CCC54C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeSanguisorba officinalis Ref.
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