input word = C00050264

Metabolite InformationStructural formula
Name Xestobergsterol B
Formula C27H44O7
Mw 480.30870376
CAS RN 141272-44-8
C_ID C00050264 ,
InChIKey DGXRPSIAVFYMOL-RGLYUROSNA-N
InChICode InChI=1S/C27H44O7/c1-11(2)9-27(34)10-12(3)17-19(27)23(32)18-16-13(6-7-25(17,18)4)26(5)14(20(29)22(16)31)8-15(28)21(30)24(26)33/h11-22,24,28-31,33-34H,6-10H2,1-5H3/t12-,13+,14-,15+,16-,17+,18+,19-,20-,21-,22-,24-,25-,26-,27-/m1/s1
SMILES CC(C)C[C@@]1(O)C[C@@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1[C@@H]3[C@@H](O)[C@H](O)[C@H]4C[C@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
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