input word = C00046997

Metabolite InformationStructural formula
Name 7alpha-Hydroxytheonellasterol
(+)-7alpha-Hydroxytheonellasterol
Formula C30H50O2
Mw 442.38108084
CAS RN 273746-39-7
C_ID C00046997 ,
InChIKey QHONYVSXQIQORT-AKHRACFHNA-N
InChICode InChI=1S/C30H50O2/c1-8-21(18(2)3)10-9-19(4)22-11-12-23-28-24(13-15-29(22,23)6)30(7)16-14-26(31)20(5)25(30)17-27(28)32/h18-19,21-22,24-27,31-32H,5,8-17H2,1-4,6-7H3/t19-,21+,22-,24+,25+,26+,27-,29-,30-/m1/s1
SMILES C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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