input word = C00043924

Metabolite InformationStructural formula
Name Stansin 1
(-)-Stansin 1
Formula C54H92O24
Mw 1124.59785387
CAS RN 768399-36-6
C_ID C00043924 ,
InChIKey RQRQMICSCHBXOV-LYRDTQNMNA-N
InChICode InChI=1S/C54H92O24/c1-10-11-17-20-32-21-18-15-13-12-14-16-19-22-36(57)73-44-33(23-34-37(58)39(60)43(31(9)69-34)74-50(66)27(5)29(7)56)30(8)70-54(47(44)75-48(64)25(2)3)77-45-40(61)38(59)35(24-68-49(65)26(4)28(6)55)72-53(45)76-46-41(62)42(63)51(67)78-52(46)71-32/h25-35,37-47,51-56,58-63,67H,10-24H2,1-9H3/t26-,27+,28+,29+,30+,31-,32+,33+,34+,35-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47+,51+,52-,53+,54+/m1/s1
SMILES CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2C(OC(=O)C(C)C)[C@H](O[C@H]3[C@H](O[C@H]4[C@H](O1)O[C@H](O)[C@@H](O)[C@@H]4O)O[C@H](COC(=O)[C@H](C)C(C)O)[C@@H](O)[C@@H]3O)O[C@@H](C)[C@@H]2C[C@@H]1O[C@H](C)[C@@H](OC(=O)C(C)C(C)O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea stans Ref.
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