input word = C00062592

Metabolite InformationStructural formula
Name Sinenoside I
Formula C26H34O12
Mw 538.20502655
CAS RN 649758-22-5
C_ID C00062592
InChIKey SXGSYHDLSPXCMU-QMFIMPQNSA-N
InChICode InChI=1S/C26H34O12/c1-34-18-8-14(4-5-16(18)29)24-15(10-27)26(33,12-36-24)9-13-3-6-17(19(7-13)35-2)37-25-23(32)22(31)21(30)20(11-28)38-25/h3-8,15,20-25,27-33H,9-12H2,1-2H3/t15-,20+,21+,22-,23+,24-,25+,26-/m0/s1
SMILES COc1cc(C2OCC(O)(Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)C2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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