input word = C00046628

Metabolite InformationStructural formula
Name Bacteriohopanehexol
Formula C35H62O6
Mw 578.45463971
CAS RN 303982-48-1
C_ID C00046628 ,
InChIKey SOEMYPMZGSJPGS-XVRXSAOXNA-N
InChICode InChI=1S/C35H62O6/c1-20(9-10-23(37)28(41)26(40)19-36)21-11-15-32(4)22(21)12-16-34(6)27(32)17-24(38)30-33(5)14-8-13-31(2,3)29(33)25(39)18-35(30,34)7/h20-30,36-41H,8-19H2,1-7H3/t20-,21-,22+,23-,24-,25+,26+,27-,28-,29+,30-,32+,33+,34-,35-/m1/s1
SMILES C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosia sp. Ref.
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