input word = C00038145

Metabolite InformationStructural formula
Name 12-Hydroxytauranin
(-)-12-Hydroxytauranin
Formula C22H30O5
Mw 374.20932407
CAS RN 1012335-01-1
C_ID C00038145 ,
InChIKey YHRTZMVVXZGKOK-LRFBSEHBNA-N
InChICode InChI=1S/C22H30O5/c1-13-5-6-18-21(2,12-24)7-4-8-22(18,3)16(13)10-15-17(25)9-14(11-23)19(26)20(15)27/h9,16,18,23-24,27H,1,4-8,10-12H2,2-3H3/t16-,18-,21+,22-/m0/s1
SMILES C=C1CC[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@H]1CC1=C(O)C(=O)C(CO)=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaePhyllosticta spinarum Ref.
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OrganismPhyllosticta spinarum
ReferenceWijeratne,J.Nat.Prod.,71,(2008),218