input word = C00011838

Metabolite InformationStructural formula
Name Tetrahelin A
Formula C27H34O12
Mw 550.20502655
CAS RN 75627-95-1
C_ID C00011838 ,
InChIKey FVILBYQDDCCJSZ-UWJSEQLUNA-N
InChICode InChI=1S/C27H34O12/c1-13-10-9-11-19(25(32)34-8)22(36-17(5)29)23(21-14(2)24(31)37-20(21)12-13)38-26(33)27(7,39-18(6)30)15(3)35-16(4)28/h11-12,15,20-23H,2,9-10H2,1,3-8H3/b13-12-,19-11+/t15-,20-,21+,22-,23-,27-/m1/s1
SMILES [C@@H]12/C=C(\CC/C=C(\[C@H]([C@@H]([C@H]1C(=C)C(=O)O2)OC(=O)[C@@](OC(=O)C)(C)[C@H](OC(=O)C)C)OC(=O)C)/C(=O)OC)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTetragonotheca helianthoides Ref.
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OrganismTetragonotheca helianthoides
ReferenceSeaman,Phytochem.,19,(1980),583