input word = C00038246

Metabolite InformationStructural formula
Name 3alpha-Hydroxytauranin
Formula C22H30O5
Mw 374.20932407
CAS RN 1012335-00-0
C_ID C00038246 ,
InChIKey BJEQCQQYHRYXQG-NIKKUXPINA-N
InChICode InChI=1S/C22H30O5/c1-12-5-6-17-21(2,3)18(25)7-8-22(17,4)15(12)10-14-16(24)9-13(11-23)19(26)20(14)27/h9,15,17-18,23,25,27H,1,5-8,10-11H2,2-4H3/t15-,17-,18+,22-/m0/s1
SMILES C1(=C)CC[C@@H]2[C@]([C@H]1CC1=C(C(=O)C(=CC1=O)CO)O)(CC[C@H](C2(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaePhyllosticta spinarum Ref.
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