input word = C00011835

Metabolite InformationStructural formula
Name Tetrahelin C
Formula C28H38O11
Mw 550.24141206
CAS RN 75627-93-9
C_ID C00011835 ,
InChIKey HHSMOWSETHYQGC-DZJUPRSONA-N
InChICode InChI=1S/C28H38O11/c1-9-15(3)24(30)38-22-19(26(32)35-8)12-10-11-14(2)13-20-21(16(4)25(31)37-20)23(22)39-27(33)28(7,34)17(5)36-18(6)29/h12-13,15,17,20-23,34H,4,9-11H2,1-3,5-8H3/b14-13-,19-12+/t15-,17+,20+,21-,22-,23-,28-/m0/s1
SMILES [C@@H]12/C=C(\CC/C=C(\[C@@H]([C@H]([C@H]1C(=C)C(=O)O2)OC(=O)[C@](O)(C)[C@H](OC(=O)C)C)OC(=O)[C@H](CC)C)/C(=O)OC)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTetragonotheca helianthoides Ref.
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