input word = C00033112

Metabolite InformationStructural formula
Name Lembehsterol B
Formula C28H46O8S2
Mw 574.26340991
CAS RN 452963-39-2
C_ID C00033112 ,
InChIKey AGHXORQQIOZFKW-ZEIZTVLYNA-N
InChICode InChI=1S/C28H46O8S2/c1-18(2)8-7-9-19(3)21-12-14-28(6)23-11-10-20-16-24(35-37(29,30)31)25(36-38(32,33)34)17-26(20,4)22(23)13-15-27(21,28)5/h10,13,18-19,21,23-25H,7-9,11-12,14-17H2,1-6H3,(H,29,30,31)(H,32,33,34)/t19-,21-,23-,24+,25+,26+,27-,28+/m1/s1
SMILES [C@H]1([C@H](CC2=CC[C@@H]3C(=CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C)[C@]2(C1)C)OS(=O)(=O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosia strongylata Ref.
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