input word = C00042827

Metabolite InformationStructural formula
Name Parvimoside A
Formula C66H106O32
Mw 1410.66672129
CAS RN 872131-52-7
C_ID C00042827 ,
InChIKey RYTKQFYVSGDKJI-YCNJXLKWNA-N
InChICode InChI=1S/C66H106O32/c1-25(2)11-10-16-65(8)54-29(71)19-64(7)28-12-13-35-62(4,5)36(15-17-63(35,6)27(28)14-18-66(54,64)61(84)98-65)93-60-53(41(76)34(24-86-60)92-57-47(82)51(39(74)32(22-69)89-57)95-56-44(79)42(77)37(72)30(20-67)88-56)97-55-45(80)43(78)49(26(3)87-55)94-59-48(83)52(40(75)33(23-70)91-59)96-58-46(81)50(85-9)38(73)31(21-68)90-58/h14,25-26,28,30-60,67-70,72-83H,10-13,15-24H2,1-9H3/t26-,28-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53-,54-,55+,56+,57+,58+,59+,60+,63-,64+,65+,66-/m1/s1
SMILES CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=CC[C@]89C(=O)O[C@@](C)(CCCC(C)C)[C@H]8C(=O)C[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stichopus parvimensis Ref.
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