input word = C00063978

Metabolite InformationStructural formula
Name Scrophularianoid B
Formula C25H34O13
Mw 542.19994117
CAS RN 1632325-27-9
C_ID C00063978
InChIKey VWIPLGQTEIDKAE-HCAMRHGYSA-N
InChICode InChI=1S/C25H34O13/c1-24(38-15(28)9-8-12-6-4-3-5-7-12)10-14(27)25(33)19(24)22(37-23(34-2)20(25)32)36-21-18(31)17(30)16(29)13(11-26)35-21/h3-9,13-14,16-23,26-27,29-33H,10-11H2,1-2H3/b9-8+/t13-,14-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25-/m1/s1
SMILES COC1OC(OC2OC(CO)C(O)C(O)C2O)C2C(C)(OC(=O)C=Cc3ccccc3)CC(O)C2(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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OrganismScrophularia ningpoensis
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.