input word = C00011872

Metabolite InformationStructural formula
Name Cordifolia 55
Formula C22H28O8
Mw 420.17841787
CAS RN 91161-81-8
C_ID C00011872 ,
InChIKey QIRCZVRQPIFQDK-BKTOHNEANA-N
InChICode InChI=1S/C22H28O8/c1-7-10(2)20(25)28-15-9-22(6)16(30-22)8-14(27-13(5)23)11(3)18(24)19-17(15)12(4)21(26)29-19/h7,14-19,24H,3-4,8-9H2,1-2,5-6H3/b10-7-/t14-,15+,16-,17-,18+,19+,22+/m1/s1
SMILES C1[C@H](C(=C)[C@@H]([C@@H]2[C@@H]([C@H](C[C@]3([C@@H]1O3)C)OC(=O)/C(=C\C)/C)C(=C)C(=O)O2)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeErlangea cordifolia Ref.
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OrganismErlangea cordifolia
ReferenceBegley,J. Chem. Soc. Perkin Trans. I,(1984),819