input word = C00035135

Metabolite InformationStructural formula
Name Neohelmanthicin B
Formula C29H42O10
Mw 550.27779756
CAS RN 918785-00-9
C_ID C00035135 ,
InChIKey XUNRIPMOCLNINU-VLDINWJJNA-N
InChICode InChI=1S/C29H42O10/c1-8-10-11-12-13-14-24(30)38-20(5)29(6,33)28(32)37-19(4)25(39-27(31)18(3)9-2)21-15-22(34-7)26-23(16-21)35-17-36-26/h9,15-16,19-20,25,33H,8,10-14,17H2,1-7H3/b18-9-/t19-,20-,25-,29+/m0/s1
SMILES c1(cc(c2c(c1)OCO2)OC)[C@H]([C@H](C)OC(=O)[C@@]([C@H](C)OC(=O)CCCCCCC)(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