input word = C00027342

Metabolite InformationStructural formula
Name Demethylisoalangiside
Formula C24H29NO10
Mw 491.17914616
CAS RN 169531-70-8
C_ID C00027342 ,
InChIKey ODZVWJRTEQQVCO-NSOSWGJQNA-N
InChICode InChI=1S/C24H29NO10/c1-2-11-13-6-15-12-7-17(28)16(27)5-10(12)3-4-25(15)22(32)14(13)9-33-23(11)35-24-21(31)20(30)19(29)18(8-26)34-24/h2,5,7,9,11,13,15,18-21,23-24,26-31H,1,3-4,6,8H2/t11-,13-,15-,18+,19+,20-,21+,23-,24-/m0/s1
SMILES c1c2c(cc(c1O)O)CCN1[C@H]2C[C@@H]2C(=CO[C@H]([C@H]2C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium salviifolium Ref.
PlantaeRubiaceaeCephaelis acuminata Ref.
PlantaeRubiaceaePsychotria ipecacuanha Ref.
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OrganismAlangium salviifolium
ReferenceP.Pailee et al.,Eur.J.Org.Chem.,(2011),3809-3814

[Pathway]