input word = C00035134

Metabolite InformationStructural formula
Name Neohelmanthicin A
(-)-Neohelmanthicin A
Formula C26H34O10
Mw 506.21519731
CAS RN 920758-09-4
C_ID C00035134 ,
InChIKey GWGKUNRASDCVQT-WHZLXDKNNA-N
InChICode InChI=1S/C26H34O10/c1-9-14(3)23(27)35-17(6)26(7,30)25(29)34-16(5)21(36-24(28)15(4)10-2)18-11-19(31-8)22-20(12-18)32-13-33-22/h9-12,16-17,21,30H,13H2,1-8H3/b14-9-,15-10-/t16-,17-,21-,26+/m0/s1
SMILES c1(cc(c2c(c1)OCO2)OC)[C@H]([C@H](C)OC(=O)[C@@]([C@H](C)OC(=O)/C(=C\C)/C)(O)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeThapsia garganica Ref.
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OrganismThapsia garganica
ReferenceLiu,Phytochem.,67,(2006),2651