input word = C00050565

Metabolite InformationStructural formula
Name Crenatoside
Formula C30H28O11
Mw 564.16316174
CAS RN 948313-84-6
C_ID C00050565
InChIKey YIVJHIINQZUPTD-JZJUYLCRSA-N
InChICode InChI=1S/C30H28O11/c1-14-9-17-11-19(12-21(33)25(17)29-24(14)20(32)10-15(2)39-29)40-30-28(37)27(36)26(35)22(41-30)13-38-23(34)8-5-16-3-6-18(31)7-4-16/h3-12,22,26-28,30-31,33,35-37H,13H2,1-2H3/b8-5+/t22-,26-,27+,28-,30-/m1/s1
SMILES Cc1cc(=O)c2c(C)cc3cc(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMicrotoena prainiana Ref.
PlantaeOrobanchaceaeCistanche tubulosa Ref.
PlantaeOrobanchaceaeOrobanche coerulescens Ref.
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