input word = C00003508

Metabolite InformationStructural formula
Name Camellidin II
Formula C53H84O24
Mw 1104.53525361
CAS RN 96827-23-5
C_ID C00003508 ,
InChIKey IILVEMAGCSQHDC-AHBOVZKJNA-N
InChICode InChI=1S/C53H84O24/c1-48(2)13-10-21-22(57)16-52(7)28(53(21,69)20-48)9-8-27-50(5)14-12-29(49(3,4)26(50)11-15-51(27,52)6)73-47-42(77-45-37(65)34(62)31(59)24(18-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(19-56)72-46)76-44-36(64)33(61)30(58)23(17-54)70-44/h9,21,23-27,29-42,44-47,54-56,58-66,69H,8,10-20H2,1-7H3,(H,67,68)/t21-,23-,24+,25+,26+,27-,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39+,40+,41-,42+,44+,45+,46+,47+,50+,51-,52-,53+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@]1([C@@H](C(=O)C2)CCC(C1)(C)C)O)C)C)C)(C)C)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
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