input word = C00049070

Metabolite InformationStructural formula
Name 1alpha,2alpha,3beta,30-Tetrahydroxyurs-12-ene
Formula C30H50O4
Mw 474.37091008
CAS RN 209343-87-3
C_ID C00049070 ,
InChIKey BKYUATYKTVXXBH-HHHOVRFCNA-N
InChICode InChI=1S/C30H50O4/c1-17-18(16-31)10-12-27(4)14-15-28(5)19(22(17)27)8-9-21-29(28,6)13-11-20-26(2,3)24(33)23(32)25(34)30(20,21)7/h8,17-18,20-25,31-34H,9-16H2,1-7H3/t17-,18-,20-,21-,22-,23-,24-,25-,27+,28+,29+,30-/m0/s1
SMILES [C@H]1([C@@H]2[C@](CC[C@H]1CO)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2([C@H]([C@H]([C@@H](C1(C)C)O)O)O)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana neurotheca Ref.
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