input word = C00010656

Metabolite InformationStructural formula
Name Serrulatoside
Formula C27H42O14
Mw 590.25745605
CAS RN 95152-93-5
C_ID C00010656 ,
InChIKey QHFLEHBNWPQUDX-WNLJBLJVNA-N
InChICode InChI=1S/C27H42O14/c1-12(2)5-19(31)41-25-20-13(7-28)3-4-16(20)14(9-36-25)10-37-26-21(32)17(30)6-15(39-26)11-38-27-24(35)23(34)22(33)18(8-29)40-27/h3,9,12,15-18,20-30,32-35H,4-8,10-11H2,1-2H3/t15-,16+,17-,18-,20+,21-,22+,23-,24+,25-,26+,27+/m1/s1
SMILES CC(C)CC(=O)OC1OC=C(CO[C@H]2OC(CO[C@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)CC(O)[C@@H]2O)C2CC=C(CO)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePenstemon serrulatus Ref.
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