input word = C00055576

Metabolite InformationStructural formula
Name (24R)-ergosta-8,22-diene-3beta,6beta,7alpha-triol
Formula C28H46O3
Mw 430.34469533
CAS RN 369378-36-9
C_ID C00055576
InChIKey PCYLGNDEPYKQOL-PZSZHJQASA-N
InChICode InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-24-22(12-14-27(20,21)5)28(6)13-11-19(29)15-23(28)25(30)26(24)31/h7-8,16-21,23,25-26,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,23+,25-,26-,27+,28+/m0/s1
SMILES CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@H](O)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRuppiaceaeRuppia maritima Ref.
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OrganismRuppia maritima
ReferenceZidorn, C., Phytochemistry, 124, (2016), 5-28.