input word = C00058757

Metabolite InformationStructural formula
Name Tortoside E
Formula C27H36O12
Mw 552.22067662
CAS RN 176903-29-0
C_ID C00058757
InChIKey MSCIDVJAIRAXCL-MIZDVTNZSA-N
InChICode InChI=1S/C28H38O12/c1-35-19-10-15(9-16(11-29)22(19)32)25-18(12-30)17-7-14(8-20(36-2)26(17)40-25)5-4-6-38-28-24(34)23(33)27(37-3)21(13-31)39-28/h7-10,18,21,23-25,27-34H,4-6,11-13H2,1-3H3/t18-,21-,23-,24-,25+,27-,28-/m1/s1
SMILES COc1cc([C@@H]2Oc3c(OC)cc(CCCO[C@@H]4O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]4O)cc3[C@H]2CO)cc(CO)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaePedicularis alaschanica Ref.
PlantaeOrobanchaceaePedicularis chinensis Ref.
PlantaeOrobanchaceaePedicularis lasiophrys Ref.
PlantaeOrobanchaceaePedicularis longiflora Ref.
PlantaeOrobanchaceaePedicularis plicata Ref.
PlantaeOrobanchaceaePedicularis procera Ref.
PlantaeOrobanchaceaePedicularis semitorta Ref.
PlantaeOrobanchaceaePedicularis spicata Ref.
PlantaeOrobanchaceaePedicularis striata Ref.
PlantaeOrobanchaceaePedicularis striata pall ssp. arachnoidea Ref.
PlantaeOrobanchaceaePedicularis striata subsp. arachnoides Ref.
PlantaeOrobanchaceaePedicularis torta Ref.
PlantaeOrobanchaceaePedicularis verticillata Ref.
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