input word = C00029662

Metabolite InformationStructural formula
Name Alisol A
Formula C30H50O5
Mw 490.36582471
CAS RN 19885-10-0
C_ID C00029662 ,
InChIKey HNOSJVWYGXOFRP-SIUMVUPNNA-N
InChICode InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
SMILES C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientalis Ref.
PlantaeAlismataceaeAlisma plantago-aquatica var.orientalis Ref.
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OrganismAlisma plantago-aquatica var.orientalis
ReferenceMyrata,Tetrahedron Lett.,(1968),103