input word = C00003515

Metabolite InformationStructural formula
Name Dianoside A
Formula C42H66O15
Mw 810.44017144
CAS RN 91652-87-8
C_ID C00003515 ,
InChIKey YYXPXYDYZRXSJH-UMOCEEKCNA-N
InChICode InChI=1S/C42H66O15/c1-37(2)13-15-42(36(53)57-34-32(50)30(48)28(46)23(19-44)55-34)16-14-39(4)20(21(42)17-37)7-8-24-38(3)11-10-26(41(6,35(51)52)25(38)9-12-40(24,39)5)56-33-31(49)29(47)27(45)22(18-43)54-33/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34-,38+,39+,40+,41-,42-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus superbus var. longicalicynus Ref.
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