input word = C00033832

Metabolite InformationStructural formula
Name Eryngioside K
(-)-Eryngioside K
Formula C54H84O22
Mw 1084.54542437
CAS RN 1039557-74-8
C_ID C00033832 ,
InChIKey JNZRVUUXJGGFKC-YZDLTRQGNA-N
InChICode InChI=1S/C54H84O22/c1-11-23(2)45(68)76-42-43(70-24(3)57)54(22-56)26(18-49(42,4)5)25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(54)59)72-48-41(75-47-37(64)35(62)34(61)28(20-55)71-47)39(38(65)40(74-48)44(66)67)73-46-36(63)33(60)27(58)21-69-46/h11-12,26-43,46-48,55-56,58-65H,13-22H2,1-10H3,(H,66,67)/b23-11-/t26-,27+,28+,29-,30+,31+,32-,33-,34+,35-,36+,37+,38-,39-,40-,41+,42-,43-,46-,47-,48-,51-,52+,53+,54-/m0/s1
SMILES C1([C@H]([C@@H]([C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)O)C)C)CO)OC(=O)C)OC(=O)/C(=C\C)/C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeEryngium yuccifolium Ref.
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OrganismEryngium yuccifolium
ReferenceZhang,Phytochem.,69,(2008),2070