input word = C00042851

Metabolite InformationStructural formula
Name Phrygioside B
(-)-Phrygioside B
Formula C33H58O12S
Mw 678.36489805
CAS RN 868860-82-6
C_ID C00042851 ,
InChIKey VVAQFAQFIVMYIO-XGUPBFQNNA-N
InChICode InChI=1S/C33H58O12S/c1-6-7-20(44-30-27(37)28(42-5)25(17-43-30)45-46(39,40)41)9-8-18(2)21-15-23(35)29-32(21,4)13-11-26-31(3)12-10-19(34)14-22(31)24(36)16-33(26,29)38/h18-30,34-38H,6-17H2,1-5H3,(H,39,40,41)/t18-,19+,20-,21-,22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33+/m1/s1
SMILES C1[C@H]2[C@]([C@H]3[C@](C1)([C@H](C[C@@H]3O)[C@@H](CC[C@H](O[C@H]1[C@H]([C@@H]([C@H](CO1)OS(=O)(=O)O)OC)O)CCC)C)C)(C[C@@H]([C@@H]1[C@@]2(CC[C@@H](C1)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaGoniasteridaeHippasteria phrygiana Ref.
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