input word = C00033525

Metabolite InformationStructural formula
Name 13beta,17beta-Epoxyalisol A
Formula C30H50O6
Mw 506.36073933
CAS RN 142808-08-0
C_ID C00033525 ,
InChIKey BLYMKZZHAHHGBK-MCDJXLCVNA-N
InChICode InChI=1S/C30H50O6/c1-17(15-18(31)23(34)25(4,5)35)29-14-13-28(8)27(7)12-9-20-24(2,3)21(33)10-11-26(20,6)22(27)19(32)16-30(28,29)36-29/h17-20,22-23,31-32,34-35H,9-16H2,1-8H3/t17-,18+,19+,20+,22+,23-,26+,27+,28-,29-,30-/m1/s1
SMILES C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)[C@]12CC[C@@]3(C)[C@@]1(C[C@H](O)[C@H]1[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]13C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientale Ref.
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OrganismAlisma orientale
ReferenceZhao,Phytochem.,69,(2008),527