input word = C00019880

Metabolite InformationStructural formula
Name Gigasol
Formula C30H34O11
Mw 570.21011193
CAS RN 133956-34-0
C_ID C00019880 ,
InChIKey MDNQVRKYHGPJNA-XHEJRLEYNA-N
InChICode InChI=1S/C30H34O11/c1-29(2,37)21(31)11-17-9-15-5-7-23(33)40-27(15)19(25(17)35)13-39-14-20-26(36)18(12-22(32)30(3,4)38)10-16-6-8-24(34)41-28(16)20/h5-10,21-22,31-32,35-38H,11-14H2,1-4H3/t21-,22-/m1/s1
SMILES CC(C)(O)[C@H](O)Cc1cc2ccc(=O)oc2c(COCc2c(O)c(C[C@@H](O)C(C)(C)O)cc3ccc(=O)oc23)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica gigas Ref.
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