input word = C00035137

Metabolite InformationStructural formula
Name Neohelmanthicin D
(-)-Neohelmanthicin D
Formula C25H34O10
Mw 494.21519731
CAS RN 920757-80-8
C_ID C00035137 ,
InChIKey ZNTRAPMOQBZBJU-NAGHZZIDNA-N
InChICode InChI=1S/C25H34O10/c1-8-10-20(26)34-16(5)25(6,29)24(28)33-15(4)21(35-23(27)14(3)9-2)17-11-18(30-7)22-19(12-17)31-13-32-22/h9,11-12,15-16,21,29H,8,10,13H2,1-7H3/b14-9-/t15-,16-,21-,25+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H](c1cc(OC)c2c(c1)OCO2)[C@H](C)OC(=O)[C@](C)(O)[C@H](C)OC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeThapsia garganica Ref.
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