input word = C00035816

Metabolite InformationStructural formula
Name Calealactone B
Formula C21H26O9
Mw 422.15768243
CAS RN 95349-43-2
C_ID C00035816 ,
InChIKey BRBRVKOYZAMSBL-OVIXWNGFNA-N
InChICode InChI=1S/C21H26O9/c1-8(2)19(24)30-15-13-10(4)20(25)28-12(13)7-9(3)14-16(29-14)17(23)21(6,26)18(15)27-11(5)22/h9,12-16,18,26H,1,4,7H2,2-3,5-6H3/t9-,12-,13-,14+,15+,16?,18-,21+/m1/s1
SMILES [C@@H]12C(=O)[C@@]([C@@H]([C@H]([C@H]3[C@@H](C[C@H]([C@@H]1O2)C)OC(=O)C3=C)OC(=O)C(=C)C)OC(=O)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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