input word = C00003613

Metabolite InformationStructural formula
Name Cymarin
Formula C30H44O9
Mw 548.298533
CAS RN 508-77-0
C_ID C00003613 ,
InChIKey XQCGNURMLWFQJR-LOKHPWDKNA-N
InChICode InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19-,20+,21-,22+,23-,25+,26+,27+,28-,29-,30-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C=O)O)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStrophanthus kombe Ref.
PlantaeMoraceaeCastilla elastica Ref.
PlantaeRanunculaceaeAdonis tienschanicus Ref.
PlantaeRanunculaceaeAdonis vernalis Ref.
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