input word = C00005573

Metabolite InformationStructural formula
Name Typhaneoside
Formula C34H42O20
Mw 770.22694379
CAS RN 104472-68-6
C_ID C00005573 ,
InChIKey POMAQDQEVHXLGT-PCRRGYMMNA-N
InChICode InChI=1S/C34H42O20/c1-10-20(38)24(42)27(45)32(49-10)48-9-18-22(40)26(44)31(54-33-28(46)25(43)21(39)11(2)50-33)34(52-18)53-30-23(41)19-15(37)7-13(35)8-17(19)51-29(30)12-4-5-14(36)16(6-12)47-3/h4-8,10-11,18,20-22,24-28,31-40,42-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22-,24-,25+,26-,27+,28-,31-,32+,33-,34-/m0/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaeTyphaceaeTypha angustata Ref.
PlantaeTyphaceaeTypha angustifolia Ref.
PlantaeTyphaceaeTypha latifolia Ref.
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