input word = C00032611

Metabolite InformationStructural formula
Name 1-O-(E)-Caffeoyl-4,6-(S)-HHDP-beta-D-glucopyranose
Formula C29H24O17
Mw 644.10134934
CAS RN 359828-20-9
C_ID C00032611 ,
InChIKey YSKBQCUOPDXDNF-IGLHONHCNA-N
InChICode InChI=1S/C29H26O17/c30-14-3-1-11(5-15(14)31)2-4-21(36)45-29-25(40)24(39)26(46-28(42)13-8-18(34)23(38)19(35)9-13)20(44-29)10-43-27(41)12-6-16(32)22(37)17(33)7-12/h1-9,20,24-26,29-35,37-40H,10H2/b4-2+/t20-,24-,25-,26-,29+/m1/s1
SMILES O=C(/C=C/c1cc(c(cc1)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalanophoraceaeBalanophora japonica Ref.
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