input word = C00059789

Metabolite InformationStructural formula
Name 6-O-sec-Hydroxyaeginetoyl ajugol
Formula C30H46O13
Mw 614.29384156
CAS RN 138195-45-6
C_ID C00059789
InChIKey XAYXKOKRFVFDAF-UHFFFAOYSA-N
InChICode InChI=1S/C30H46O13/c1-15(6-10-30(39)27(2,3)19(32)7-9-29(30,5)38)12-20(33)41-17-13-28(4,37)21-16(17)8-11-40-25(21)43-26-24(36)23(35)22(34)18(14-31)42-26/h6,8,10-12,16-19,21-26,31-32,34-39H,7,9,13-14H2,1-5H3
SMILES CC(C=CC1(O)C(C)(O)CCC(O)C1(C)C)=CC(=O)OC1CC(C)(O)C2C(OC3OC(CO)C(O)C(O)C3O)OC=CC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismRehmannia glutinosa
Referencehttps://doi.org/10.1080/14786419.2010.514268