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 c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)OC)O)O)O
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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OrganismTypha angustata
ReferenceJia, et al., APS, 21, (1986), 441.

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)