input word = C00050263

Metabolite InformationStructural formula
Name Xestobergsterol A
Formula C27H44O5
Mw 448.31887452
CAS RN 141272-45-9
C_ID C00050263 ,
InChIKey NXIUUQKBFNWMSY-MVWPLEEGNA-N
InChICode InChI=1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,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)CC[C@]4(C)[C@H]3CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
--Petrosia contignata Ref.
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