input word = C00020517

Metabolite InformationStructural formula
Name Tectoroside
Formula C30H36O12
Mw 588.22067662
CAS RN 124960-89-0
C_ID C00020517 ,
InChIKey MAHPANYZARJSAV-PVQWHNBENA-N
InChICode InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2/t17-,18+,19+,20-,21-,22-,23+,24+,25-,26+,27+,30+/m0/s1
SMILES C=C1CC(OC(=O)C(O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)CC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepis tectorum Ref.
PlantaeAsteraceaeIxeris debilis A. Gray Ref.
PlantaeAsteraceaeIxeris repens A.Gray Ref.
PlantaeAsteraceaeLapsana communis L. Ref.
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