input word = C00032141

Metabolite InformationStructural formula
Name Sinocrassuloside I
(+)-Sinocrassuloside I
Formula C48H76O21
Mw 988.48790949
CAS RN 724784-95-6
C_ID C00032141 ,
InChIKey BDZNQQHAIBAVJE-BDZVMMIWNA-N
InChICode InChI=1S/C48H76O21/c1-43(2)13-14-48(21(15-43)20-7-8-25-44(3)11-10-27(51)47(6,41(61)62)26(44)9-12-45(25,4)46(20,5)16-28(48)52)42(63)69-40-36(60)37(68-39-35(59)33(57)30(54)23(18-50)66-39)31(55)24(67-40)19-64-38-34(58)32(56)29(53)22(17-49)65-38/h7,21-40,49-60H,8-19H2,1-6H3,(H,61,62)/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,44+,45+,46+,47-,48+/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula asclepiadea FRANCH Ref.
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