input word = C00010523

Metabolite InformationStructural formula
Name Saccatoside
6-O-alpha-L-(2''-O-trans-p-coumaroyl)rhamnopyranosylcatalpol
Formula C30H38O16
Mw 654.21598517
CAS RN 85819-35-8
C_ID C00010523 ,
InChIKey XIPQZLUSSJDAIC-UMTMVBIXNA-N
InChICode InChI=1S/C30H38O16/c1-12-19(35)22(38)25(43-17(34)7-4-13-2-5-14(33)6-3-13)29(41-12)44-24-15-8-9-40-27(18(15)30(11-32)26(24)46-30)45-28-23(39)21(37)20(36)16(10-31)42-28/h2-9,12,15-16,18-29,31-33,35-39H,10-11H2,1H3/b7-4+/t12-,15-,16-,18+,19+,20+,21-,22+,23+,24-,25-,26-,27-,28-,29+,30+/m0/s1
SMILES C[C@@H]1O[C@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H]3[C@@]3(CO)O[C@@H]23)C(OC(=O)/C=C/c2ccc(O)cc2)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeGmelina philippensis Ref.
PlantaeScrophulariaceaeScrophularia dentata Ref.
PlantaeScrophulariaceaeVerbascum saccatum Ref.
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OrganismScrophularia dentata
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.