input word = C00003636

Metabolite InformationStructural formula
Name Scillaren A
Formula C36H52O13
Mw 692.34079175
CAS RN 124-99-2
C_ID C00003636 ,
InChIKey NXJOCELNFPGKIV-KNKIHUQCNA-N
InChICode InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+/m1/s1
SMILES C1[C@@H](C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1ccc(=O)oc1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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