input word = C00059177

Metabolite InformationStructural formula
Name Tithymalin
Formula C27H30O17
Mw 626.14829954
CAS RN 11053-17-1
C_ID C00059177
InChIKey MIWYDNODAWFFTD-UHFFFAOYSA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)41-11-3-8(1-2-10(11)31)25-22(37)19(34)16-12(40-25)4-9(30)5-13(16)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2
SMILES O=c1c(O)c(-c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
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