input word = C00012295

Metabolite InformationStructural formula
Name Tetrahelin B
Formula C27H34O13
Mw 566.19994117
CAS RN 75627-94-0
C_ID C00012295 ,
InChIKey RVIZWHDRVBGGFY-QZPYEDBENA-N
InChICode InChI=1S/C27H34O13/c1-13-21-20(38-24(13)32)11-18(12-28)9-8-10-19(25(33)35-7)22(37-16(4)30)23(21)39-26(34)27(6,40-17(5)31)14(2)36-15(3)29/h10-11,14,20-23,28H,1,8-9,12H2,2-7H3/b18-11-,19-10+/t14-,20-,21+,22-,23-,27+/m1/s1
SMILES C=C1C(=O)OC2/C=C(CO)CC/C=C(/C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)(OC(C)=O)C(C)OC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTetragonotheca helianthoides Ref.
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